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

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

  • Molecular FormulaC17H26FNS
  • Average mass295.458 Da
  • Monoisotopic mass295.177002 Da
  • ChemSpider ID56958824

More details:

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

1-(2-Fluorophenyl)-N-{[1-(methylsulfanyl)cyclohexyl]methyl}-1-propanamine [ACD/IUPAC Name]
1-(2-Fluorophényl)-N-{[1-(méthylsulfanyl)cyclohexyl]méthyl}-1-propanamine [French] [ACD/IUPAC Name]
1-(2-Fluorphenyl)-N-{[1-(methylsulfanyl)cyclohexyl]methyl}-1-propanamin [German] [ACD/IUPAC Name]
Benzenemethanamine, α-ethyl-2-fluoro-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: 378.6±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.6±3.0 kJ/mol
Flash Point: 182.7±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: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 3.85
ACD/KOC (pH 5.5): 13.38
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 96.53
ACD/KOC (pH 7.4): 335.60
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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