ChemSpider 2D Image | 1-(3-Fluorophenyl)-N-{[1-(methylsulfanyl)cyclohexyl]methyl}-2-propanamine | C17H26FNS

1-(3-Fluorophenyl)-N-{[1-(methylsulfanyl)cyclohexyl]methyl}-2-propanamine

  • Molecular FormulaC17H26FNS
  • Average mass295.458 Da
  • Monoisotopic mass295.177002 Da
  • ChemSpider ID56959629

More details:

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

1-(3-Fluorophenyl)-N-{[1-(methylsulfanyl)cyclohexyl]methyl}-2-propanamine [ACD/IUPAC Name]
1-(3-Fluorophényl)-N-{[1-(méthylsulfanyl)cyclohexyl]méthyl}-2-propanamine [French] [ACD/IUPAC Name]
1-(3-Fluorphenyl)-N-{[1-(methylsulfanyl)cyclohexyl]methyl}-2-propanamin [German] [ACD/IUPAC Name]
Benzeneethanamine, 3-fluoro-α-methyl-N-[[1-(methylthio)cyclohexyl]methyl]- [ACD/Index 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: 391.9±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 190.8±20.9 °C
Index of Refraction: 1.539
Molar Refractivity: 87.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 2.34
ACD/KOC (pH 5.5): 8.49
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 8.96
ACD/KOC (pH 7.4): 32.57
Polar Surface Area: 37 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 39.0±5.0 dyne/cm
Molar Volume: 279.0±5.0 cm3

Click to predict properties on the Chemicalize site


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