ChemSpider 2D Image | N-[(1R)-1-(4-Fluorophenyl)ethyl]-3-phenyl-2-propyn-1-amine | C17H16FN

N-[(1R)-1-(4-Fluorophenyl)ethyl]-3-phenyl-2-propyn-1-amine

  • Molecular FormulaC17H16FN
  • Average mass253.314 Da
  • Monoisotopic mass253.126678 Da
  • ChemSpider ID37290067

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzenemethanamine, 4-fluoro-α-methyl-N-(3-phenyl-2-propyn-1-yl)-, (αR)- [ACD/Index Name]
N-[(1R)-1-(4-Fluorophenyl)ethyl]-3-phenyl-2-propyn-1-amine [ACD/IUPAC Name]
N-[(1R)-1-(4-Fluorophényl)éthyl]-3-phényl-2-propyn-1-amine [French] [ACD/IUPAC Name]
N-[(1R)-1-(4-Fluorphenyl)ethyl]-3-phenyl-2-propin-1-amin [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 356.6±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.2±3.0 kJ/mol
Flash Point: 169.5±23.7 °C
Index of Refraction: 1.583
Molar Refractivity: 76.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 40.57
ACD/KOC (pH 5.5): 211.78
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 640.99
ACD/KOC (pH 7.4): 3345.86
Polar Surface Area: 12 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 228.6±5.0 cm3

Click to predict properties on the Chemicalize site


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