ChemSpider 2D Image | 3-{Ethyl[4-({[2-(4-fluorophenyl)-2-(4-morpholinyl)ethyl]amino}methyl)-3-methylphenyl]amino}propanenitrile | C25H33FN4O

3-{Ethyl[4-({[2-(4-fluorophenyl)-2-(4-morpholinyl)ethyl]amino}methyl)-3-methylphenyl]amino}propanenitrile

  • Molecular FormulaC25H33FN4O
  • Average mass424.554 Da
  • Monoisotopic mass424.263855 Da
  • ChemSpider ID21949507

More details:

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

3-{Ethyl[4-({[2-(4-fluorophenyl)-2-(4-morpholinyl)ethyl]amino}methyl)-3-methylphenyl]amino}propanenitrile [ACD/IUPAC Name]
3-{Éthyl[4-({[2-(4-fluorophényl)-2-(4-morpholinyl)éthyl]amino}méthyl)-3-méthylphényl]amino}propanenitrile [French] [ACD/IUPAC Name]
3-{Ethyl[4-({[2-(4-fluorphenyl)-2-(4-morpholinyl)ethyl]amino}methyl)-3-methylphenyl]amino}propannitril [German] [ACD/IUPAC Name]
Propanenitrile, 3-[ethyl[4-[[[2-(4-fluorophenyl)-2-(4-morpholinyl)ethyl]amino]methyl]-3-methylphenyl]amino]- [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: 591.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 311.6±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 123.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.87
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 16.75
ACD/KOC (pH 7.4): 101.21
Polar Surface Area: 52 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 371.5±3.0 cm3

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