ChemSpider 2D Image | 2-(5-Fluoro-2-methylphenyl)-1-[(3R,4R)-3-(hydroxymethyl)-4-{[(2-methoxyethyl)(methyl)amino]methyl}-1-pyrrolidinyl]ethanone | C19H29FN2O3

2-(5-Fluoro-2-methylphenyl)-1-[(3R,4R)-3-(hydroxymethyl)-4-{[(2-methoxyethyl)(methyl)amino]methyl}-1-pyrrolidinyl]ethanone

  • Molecular FormulaC19H29FN2O3
  • Average mass352.444 Da
  • Monoisotopic mass352.216217 Da
  • ChemSpider ID29537340

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-(5-Fluor-2-methylphenyl)-1-[(3R,4R)-3-(hydroxymethyl)-4-{[(2-methoxyethyl)(methyl)amino]methyl}-1-pyrrolidinyl]ethanon [German] [ACD/IUPAC Name]
2-(5-Fluoro-2-methylphenyl)-1-[(3R,4R)-3-(hydroxymethyl)-4-{[(2-methoxyethyl)(methyl)amino]methyl}-1-pyrrolidinyl]ethanone [ACD/IUPAC Name]
2-(5-Fluoro-2-méthylphényl)-1-[(3R,4R)-3-(hydroxyméthyl)-4-{[(2-méthoxyéthyl)(méthyl)amino]méthyl}-1-pyrrolidinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(5-fluoro-2-methylphenyl)-1-[(3R,4R)-3-(hydroxymethyl)-4-[[(2-methoxyethyl)methylamino]methyl]-1-pyrrolidinyl]- [ACD/Index Name]
((3R*,4R*)-1-[(5-fluoro-2-methylphenyl)acetyl]-4-{[(2-methoxyethyl)(methyl)amino]methyl}pyrrolidin-3-yl)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: 504.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 258.9±28.7 °C
Index of Refraction: 1.525
Molar Refractivity: 95.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.09
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.20
Polar Surface Area: 53 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 311.5±3.0 cm3

Click to predict properties on the Chemicalize site


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