ChemSpider 2D Image | (2R,3S)-N-[2-Methoxy-5-(trifluoromethoxy)benzyl]-2-phenyl-3-piperidinamine | C20H23F3N2O2

(2R,3S)-N-[2-Methoxy-5-(trifluoromethoxy)benzyl]-2-phenyl-3-piperidinamine

  • Molecular FormulaC20H23F3N2O2
  • Average mass380.404 Da
  • Monoisotopic mass380.171173 Da
  • ChemSpider ID114813924

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-N-[2-Methoxy-5-(trifluormethoxy)benzyl]-2-phenyl-3-piperidinamin [German] [ACD/IUPAC Name]
(2R,3S)-N-[2-Methoxy-5-(trifluoromethoxy)benzyl]-2-phenyl-3-piperidinamine [ACD/IUPAC Name]
(2R,3S)-N-[2-Méthoxy-5-(trifluorométhoxy)benzyl]-2-phényl-3-pipéridinamine [French] [ACD/IUPAC Name]
3-Piperidinamine, N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenyl-, (2R,3S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 448.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 225.3±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 97.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 5.58
ACD/KOC (pH 7.4): 32.91
Polar Surface Area: 43 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 305.4±5.0 cm3

Click to predict properties on the Chemicalize site


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