ChemSpider 2D Image | N-{[3-({[2-(4-Biphenylyl)ethyl]amino}methyl)-1-methyl-1H-indol-5-yl]methyl}-4-fluoroaniline | C31H30FN3

N-{[3-({[2-(4-Biphenylyl)ethyl]amino}methyl)-1-methyl-1H-indol-5-yl]methyl}-4-fluoroaniline

  • Molecular FormulaC31H30FN3
  • Average mass463.588 Da
  • Monoisotopic mass463.242371 Da
  • ChemSpider ID128723386

More details:

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

1H-Indole-3,5-dimethanamine, N3-(2-[1,1'-biphenyl]-4-ylethyl)-N5-(4-fluorophenyl)-1-methyl- [ACD/Index Name]
N-{[3-({[2-(4-Biphenylyl)ethyl]amino}methyl)-1-methyl-1H-indol-5-yl]methyl}-4-fluoranilin [German] [ACD/IUPAC Name]
N-{[3-({[2-(4-Biphenylyl)ethyl]amino}methyl)-1-methyl-1H-indol-5-yl]methyl}-4-fluoroaniline [ACD/IUPAC Name]
N-{[3-({[2-(4-Biphénylyl)éthyl]amino}méthyl)-1-méthyl-1H-indol-5-yl]méthyl}-4-fluoroaniline [French] [ACD/IUPAC 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: 654.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.8±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 142.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.01
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 66.53
ACD/KOC (pH 5.5): 92.99
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 381.74
ACD/KOC (pH 7.4): 533.57
Polar Surface Area: 29 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 410.8±7.0 cm3

Click to predict properties on the Chemicalize site


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