ChemSpider 2D Image | 1-[4-(4-Bromophenyl)tetrahydro-2H-pyran-4-yl]-N-[3-fluoro-4-(1H-imidazol-1-yl)benzyl]methanamine | C22H23BrFN3O

1-[4-(4-Bromophenyl)tetrahydro-2H-pyran-4-yl]-N-[3-fluoro-4-(1H-imidazol-1-yl)benzyl]methanamine

  • Molecular FormulaC22H23BrFN3O
  • Average mass444.340 Da
  • Monoisotopic mass443.100861 Da
  • ChemSpider ID31795115

More details:

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

1-[4-(4-Bromophenyl)tetrahydro-2H-pyran-4-yl]-N-[3-fluoro-4-(1H-imidazol-1-yl)benzyl]methanamine [ACD/IUPAC Name]
1-[4-(4-Bromophényl)tétrahydro-2H-pyran-4-yl]-N-[3-fluoro-4-(1H-imidazol-1-yl)benzyl]méthanamine [French] [ACD/IUPAC Name]
1-[4-(4-Bromphenyl)tetrahydro-2H-pyran-4-yl]-N-[3-fluor-4-(1H-imidazol-1-yl)benzyl]methanamin [German] [ACD/IUPAC Name]
2H-Pyran-4-methanamine, 4-(4-bromophenyl)-N-[[3-fluoro-4-(1H-imidazol-1-yl)phenyl]methyl]tetrahydro- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 551.6±50.0 °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: 287.4±30.1 °C
Index of Refraction: 1.625
Molar Refractivity: 113.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 2.06
ACD/KOC (pH 5.5): 8.53
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 87.48
ACD/KOC (pH 7.4): 362.09
Polar Surface Area: 39 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 320.1±7.0 cm3

Click to predict properties on the Chemicalize site


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