ChemSpider 2D Image | (2S,3S,11bS)-3-[3-(Fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine | C22H27FN2O2

(2S,3S,11bS)-3-[3-(Fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine

  • Molecular FormulaC22H27FN2O2
  • Average mass370.460 Da
  • Monoisotopic mass370.205658 Da
  • ChemSpider ID25060243

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,11bS)-3-[3-(Fluormethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isochinolin-2-amin [German] [ACD/IUPAC Name]
(2S,3S,11bS)-3-[3-(Fluorométhyl)phényl]-9,10-diméthoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoléin-2-amine [French] [ACD/IUPAC Name]
(2S,3S,11bS)-3-[3-(Fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine [ACD/IUPAC Name]
2H-Benzo[a]quinolizin-2-amine, 3-[3-(fluoromethyl)phenyl]-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-, (2S,3S,11bS)- [ACD/Index Name]
23Q

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

Density: 1.2±0.1 g/cm3
Boiling Point: 512.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 263.8±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 104.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.82
Polar Surface Area: 48 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 303.2±5.0 cm3

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