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

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

  • Molecular FormulaC24H33ClN2O3
  • Average mass432.983 Da
  • Monoisotopic mass432.217957 Da
  • ChemSpider ID22859245

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-{4-[({[(2R,3R,5S)-2-(4-Chlorophenyl)-1-ethyl-5-(hydroxymethyl)-5-methyl-3-pyrrolidinyl]methyl}amino)methyl]phenoxy}ethanol [ACD/IUPAC Name]
2-{4-[({[(2R,3R,5S)-2-(4-Chlorophényl)-1-éthyl-5-(hydroxyméthyl)-5-méthyl-3-pyrrolidinyl]méthyl}amino)méthyl]phénoxy}éthanol [French] [ACD/IUPAC Name]
2-{4-[({[(2R,3R,5S)-2-(4-Chlorphenyl)-1-ethyl-5-(hydroxymethyl)-5-methyl-3-pyrrolidinyl]methyl}amino)methyl]phenoxy}ethanol [German] [ACD/IUPAC Name]
2-Pyrrolidinemethanol, 5-(4-chlorophenyl)-1-ethyl-4-[[[[4-(2-hydroxyethoxy)phenyl]methyl]amino]methyl]-2-methyl-, (2S,4R,5R)- [ACD/Index Name]
2-{4-[({[(2R*,3R*,5S*)-2-(4-chlorophenyl)-1-ethyl-5-(hydroxymethyl)-5-methyl-3-pyrrolidinyl]methyl}amino)methyl]phenoxy}ethanol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 570.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 298.6±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 121.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.99
Polar Surface Area: 65 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 375.6±3.0 cm3

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