ChemSpider 2D Image | (R)-1-{(2S)-1-[Bis(4-methylphenyl)methyl]-2-azetidinyl}-1-(3-chlorophenyl)methanamine | C25H27ClN2

(R)-1-{(2S)-1-[Bis(4-methylphenyl)methyl]-2-azetidinyl}-1-(3-chlorophenyl)methanamine

  • Molecular FormulaC25H27ClN2
  • Average mass390.948 Da
  • Monoisotopic mass390.186279 Da
  • ChemSpider ID23192697

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(R)-1-{(2S)-1-[Bis(4-methylphenyl)methyl]-2-azetidinyl}-1-(3-chlorophenyl)methanamine [ACD/IUPAC Name]
(R)-1-{(2S)-1-[Bis(4-méthylphényl)méthyl]-2-azétidinyl}-1-(3-chlorophényl)méthanamine [French] [ACD/IUPAC Name]
(R)-1-{(2S)-1-[Bis(4-methylphenyl)methyl]-2-azetidinyl}-1-(3-chlorphenyl)methanamin [German] [ACD/IUPAC Name]
(R)-1-{(2S)-1-[bis(4-methylphenyl)methyl]azetidin-2-yl}-1-(3-chlorophenyl)methanamine
2-Azetidinemethanamine, 1-[bis(4-methylphenyl)methyl]-α-(3-chlorophenyl)-, (αR,2S)- [ACD/Index Name]
C-[(R)-C-(3-Chloro-phenyl)-C-((S)-1-di-p-tolylmethyl-azetidin-2-yl)]-methylamine
CHEMBL110138

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

Density: 1.2±0.1 g/cm3
Boiling Point: 502.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 257.7±28.7 °C
Index of Refraction: 1.632
Molar Refractivity: 118.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.31
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 5.54
ACD/KOC (pH 5.5): 12.79
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 928.80
ACD/KOC (pH 7.4): 2143.50
Polar Surface Area: 29 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 331.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement