ChemSpider 2D Image | 3-(2-Chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propanamine | C18H22ClNO

3-(2-Chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propanamine

  • Molecular FormulaC18H22ClNO
  • Average mass303.826 Da
  • Monoisotopic mass303.138977 Da
  • ChemSpider ID58830836

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-(2-Chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propanamine [ACD/IUPAC Name]
3-(2-Chlorophényl)-N-[(1S)-1-(3-méthoxyphényl)éthyl]-1-propanamine [French] [ACD/IUPAC Name]
3-(2-Chlorphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propanamin [German] [ACD/IUPAC Name]
Benzenepropanamine, 2-chloro-N-[(1S)-1-(3-methoxyphenyl)ethyl]- [ACD/Index Name]
Tecalcet [INN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 416.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 205.6±27.3 °C
Index of Refraction: 1.556
Molar Refractivity: 89.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 2.10
ACD/KOC (pH 5.5): 8.11
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 24.16
ACD/KOC (pH 7.4): 93.33
Polar Surface Area: 21 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 278.0±3.0 cm3

Click to predict properties on the Chemicalize site


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