Found 72 results

Search term: MF = 'C_{26}H_{24}FNO_{2}'
ChemSpider 2D Image | 1-{2-[(2-Fluorobenzyl)oxy]-1-naphthyl}-N-(4-methoxybenzyl)methanamine | C26H24FNO2

1-{2-[(2-Fluorobenzyl)oxy]-1-naphthyl}-N-(4-methoxybenzyl)methanamine

  • Molecular FormulaC26H24FNO2
  • Average mass401.473 Da
  • Monoisotopic mass401.179108 Da
  • ChemSpider ID3911463

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-{2-[(2-Fluorbenzyl)oxy]-1-naphthyl}-N-(4-methoxybenzyl)methanamin [German] [ACD/IUPAC Name]
1-{2-[(2-Fluorobenzyl)oxy]-1-naphthyl}-N-(4-methoxybenzyl)methanamine [ACD/IUPAC Name]
1-{2-[(2-Fluorobenzyl)oxy]-1-naphtyl}-N-(4-méthoxybenzyl)méthanamine [French] [ACD/IUPAC Name]
1-Naphthalenemethanamine, 2-[(2-fluorophenyl)methoxy]-N-[(4-methoxyphenyl)methyl]- [ACD/Index Name]
({2-[(2-FLUOROPHENYL)METHOXY]NAPHTHALEN-1-YL}METHYL)[(4-METHOXYPHENYL)METHYL]AMINE
[2-(2-Fluoro-benzyloxy)-naphthalen-1-ylmethyl]-(4-methoxy-benzyl)-amine
1-{2-[(2-fluorobenzyl)oxy]naphthalen-1-yl}-N-(4-methoxybenzyl)methanamine
892595-60-7 [RN]
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-(4-methoxyphenyl)methanamine

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 551.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.2±3.0 kJ/mol
    Flash Point: 287.3±28.7 °C
    Index of Refraction: 1.624
    Molar Refractivity: 119.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 6.19
    ACD/LogD (pH 5.5): 3.28
    ACD/BCF (pH 5.5): 43.24
    ACD/KOC (pH 5.5): 93.86
    ACD/LogD (pH 7.4): 4.96
    ACD/BCF (pH 7.4): 2077.56
    ACD/KOC (pH 7.4): 4509.61
    Polar Surface Area: 30 Å2
    Polarizability: 47.4±0.5 10-24cm3
    Surface Tension: 45.6±3.0 dyne/cm
    Molar Volume: 338.8±3.0 cm3

    Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                            
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  6.49

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  515.23  (Adapted Stein & Brown method)
    Melting Pt (deg C):  219.71  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.38E-011  (Modified Grain method)
    Subcooled liquid VP: 1.13E-008 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.08775
       log Kow used: 6.49 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.003744 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.49E-012  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.647E-010 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.49  (KowWin est)
  Log Kaw used:  -9.846  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.336
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1641
   Biowin2 (Non-Linear Model)     :   0.0005
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8132  (months      )
   Biowin4 (Primary Survey Model) :   3.4795  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0928
   Biowin6 (MITI Non-Linear Model):   0.0001
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0682
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.51E-006 Pa (1.13E-008 mm Hg)
  Log Koa (Koawin est  ): 16.336
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.99 
       Octanol/air (Koa) model:  5.32E+003 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.986 
       Mackay model           :  0.994 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 232.1528 E-12 cm3/molecule-sec
      Half-Life =     0.046 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.553 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.99 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  8.454E+006
      Log Koc:  6.927 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 4.297 (BCF = 1.979e+004)
       log Kow used: 6.49 (estimated)

 Volatilization from Water:
    Henry LC:  3.49E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.361E+008  hours   (1.401E+007 days)
    Half-Life from Model Lake : 3.667E+009  hours   (1.528E+008 days)

 Removal In Wastewater Treatment:
    Total removal:              93.42  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.65  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.000867        1.11         1000       
   Water     1.63            1.44e+003    1000       
   Soil      44.2            2.88e+003    1000       
   Sediment  54.2            1.3e+004     0          
     Persistence Time: 5.69e+003 hr

    Click to predict properties on the Chemicalize site


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