ChemSpider 2D Image | N-[(2S)-1-(4-Fluorophenyl)-2-propanyl]-N-methyl-2-propyn-1-amine | C13H16FN

N-[(2S)-1-(4-Fluorophenyl)-2-propanyl]-N-methyl-2-propyn-1-amine

  • Molecular FormulaC13H16FN
  • Average mass205.271 Da
  • Monoisotopic mass205.126678 Da
  • ChemSpider ID23153901

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzeneethanamine, 4-fluoro-N,α-dimethyl-N-2-propyn-1-yl-, (αS)- [ACD/Index Name]
N-[(2S)-1-(4-Fluorophenyl)-2-propanyl]-N-methyl-2-propyn-1-amine [ACD/IUPAC Name]
N-[(2S)-1-(4-Fluorophényl)-2-propanyl]-N-méthyl-2-propyn-1-amine [French] [ACD/IUPAC Name]
N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-N-methylprop-2-yn-1-amine
N-[(2S)-1-(4-Fluorphenyl)-2-propanyl]-N-methyl-2-propin-1-amin [German] [ACD/IUPAC Name]
[(S)-2-(4-Fluoro-phenyl)-1-methyl-ethyl]-methyl-prop-2-ynyl-amine

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

Density: 1.0±0.1 g/cm3
Boiling Point: 276.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.5±3.0 kJ/mol
Flash Point: 120.9±23.2 °C
Index of Refraction: 1.515
Molar Refractivity: 60.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 2.00
ACD/KOC (pH 5.5): 19.57
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 56.00
ACD/KOC (pH 7.4): 547.81
Polar Surface Area: 3 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 200.4±3.0 cm3

Click to predict properties on the Chemicalize site


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