ChemSpider 2D Image | 1-Cyclohexyl-N-(3-methoxybenzyl)-N-{[1-(4-methylbenzyl)-1H-pyrrol-2-yl]methyl}methanamine | C28H36N2O

1-Cyclohexyl-N-(3-methoxybenzyl)-N-{[1-(4-methylbenzyl)-1H-pyrrol-2-yl]methyl}methanamine

  • Molecular FormulaC28H36N2O
  • Average mass416.598 Da
  • Monoisotopic mass416.282776 Da
  • ChemSpider ID22583601

More details:

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

1-Cyclohexyl-N-(3-methoxybenzyl)-N-{[1-(4-methylbenzyl)-1H-pyrrol-2-yl]methyl}methanamin [German] [ACD/IUPAC Name]
1-Cyclohexyl-N-(3-methoxybenzyl)-N-{[1-(4-methylbenzyl)-1H-pyrrol-2-yl]methyl}methanamine [ACD/IUPAC Name]
1-Cyclohexyl-N-(3-méthoxybenzyl)-N-{[1-(4-méthylbenzyl)-1H-pyrrol-2-yl]méthyl}méthanamine [French] [ACD/IUPAC Name]
1H-Pyrrole-2-methanamine, N-(cyclohexylmethyl)-N-[(3-methoxyphenyl)methyl]-1-[(4-methylphenyl)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: 536.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.0±28.7 °C
Index of Refraction: 1.573
Molar Refractivity: 130.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.37
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 100.70
ACD/KOC (pH 5.5): 153.29
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 3959.64
ACD/KOC (pH 7.4): 6027.85
Polar Surface Area: 17 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 39.1±7.0 dyne/cm
Molar Volume: 395.3±7.0 cm3

Click to predict properties on the Chemicalize site


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