ChemSpider 2D Image | [(2S,4R,5R)-5-(4-Chlorophenyl)-4-{[(3,5-dimethoxybenzyl)amino]methyl}-1-ethyl-2-methyl-2-pyrrolidinyl]methanol | C24H33ClN2O3

[(2S,4R,5R)-5-(4-Chlorophenyl)-4-{[(3,5-dimethoxybenzyl)amino]methyl}-1-ethyl-2-methyl-2-pyrrolidinyl]methanol

  • Molecular FormulaC24H33ClN2O3
  • Average mass432.983 Da
  • Monoisotopic mass432.217957 Da
  • ChemSpider ID22864036

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(2S,4R,5R)-5-(4-Chlorophenyl)-4-{[(3,5-dimethoxybenzyl)amino]methyl}-1-ethyl-2-methyl-2-pyrrolidinyl]methanol [ACD/IUPAC Name]
[(2S,4R,5R)-5-(4-Chlorophényl)-4-{[(3,5-diméthoxybenzyl)amino]méthyl}-1-éthyl-2-méthyl-2-pyrrolidinyl]méthanol [French] [ACD/IUPAC Name]
[(2S,4R,5R)-5-(4-Chlorphenyl)-4-{[(3,5-dimethoxybenzyl)amino]methyl}-1-ethyl-2-methyl-2-pyrrolidinyl]methanol [German] [ACD/IUPAC Name]
2-Pyrrolidinemethanol, 5-(4-chlorophenyl)-4-[[[(3,5-dimethoxyphenyl)methyl]amino]methyl]-1-ethyl-2-methyl-, (2S,4R,5R)- [ACD/Index Name]
((2S*,4R*,5R*)-5-(4-chlorophenyl)-4-{[(3,5-dimethoxybenzyl)amino]methyl}-1-ethyl-2-methyl-2-pyrrolidinyl)methanol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 548.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 285.2±30.1 °C
Index of Refraction: 1.547
Molar Refractivity: 122.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 4.55
ACD/KOC (pH 7.4): 20.85
Polar Surface Area: 54 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 385.6±3.0 cm3

Click to predict properties on the Chemicalize site


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