ChemSpider 2D Image | N-{6-Bromo-2-[(4-fluorobenzyl)oxy]-3-methoxybenzyl}-2-(1-cyclohexen-1-yl)ethanamine | C23H27BrFNO2

N-{6-Bromo-2-[(4-fluorobenzyl)oxy]-3-methoxybenzyl}-2-(1-cyclohexen-1-yl)ethanamine

  • Molecular FormulaC23H27BrFNO2
  • Average mass448.368 Da
  • Monoisotopic mass447.120911 Da
  • ChemSpider ID34008606

More details:

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

Benzenemethanamine, 6-bromo-N-[2-(1-cyclohexen-1-yl)ethyl]-2-[(4-fluorophenyl)methoxy]-3-methoxy- [ACD/Index Name]
N-{6-Brom-2-[(4-fluorbenzyl)oxy]-3-methoxybenzyl}-2-(1-cyclohexen-1-yl)ethanamin [German] [ACD/IUPAC Name]
N-{6-Bromo-2-[(4-fluorobenzyl)oxy]-3-methoxybenzyl}-2-(1-cyclohexen-1-yl)ethanamine [ACD/IUPAC Name]
N-{6-Bromo-2-[(4-fluorobenzyl)oxy]-3-méthoxybenzyl}-2-(1-cyclohexén-1-yl)éthanamine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 517.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 266.5±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 114.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 42.73
ACD/KOC (pH 5.5): 75.89
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 1163.79
ACD/KOC (pH 7.4): 2066.96
Polar Surface Area: 30 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 350.4±3.0 cm3

Click to predict properties on the Chemicalize site


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