ChemSpider 2D Image | (3R)-N-(~2~H_3_)Methyl-3-(2-methylphenoxy)-3-phenyl-1-propanamine | C17H18D3NO

(3R)-N-(2H3)Methyl-3-(2-methylphenoxy)-3-phenyl-1-propanamine

  • Molecular FormulaC17H18D3NO
  • Average mass258.373 Da
  • Monoisotopic mass258.181152 Da
  • ChemSpider ID78362016

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R)-N-(2H3)Methyl-3-(2-methylphenoxy)-3-phenyl-1-propanamin [German] [ACD/IUPAC Name]
(3R)-N-(2H3)Methyl-3-(2-methylphenoxy)-3-phenyl-1-propanamine [ACD/IUPAC Name]
(3R)-N-(2H3)Méthyl-3-(2-méthylphénoxy)-3-phényl-1-propanamine [French] [ACD/IUPAC Name]
Benzenepropanamine, N-(methyl-d3)-γ-(2-methylphenoxy)-, (γR)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 389.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 164.1±16.0 °C
Index of Refraction: 1.552
Molar Refractivity: 79.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.89
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.93
Polar Surface Area: 21 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 249.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement