ChemSpider 2D Image | N,N-Dimethyl-2-[(S)-[2-(2-methyl-2-propanyl)phenyl](phenyl)methoxy]ethanamine | C21H29NO

N,N-Dimethyl-2-[(S)-[2-(2-methyl-2-propanyl)phenyl](phenyl)methoxy]ethanamine

  • Molecular FormulaC21H29NO
  • Average mass311.461 Da
  • Monoisotopic mass311.224915 Da
  • ChemSpider ID34988983

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Ethanamine, 2-[(S)-[2-(1,1-dimethylethyl)phenyl]phenylmethoxy]-N,N-dimethyl- [ACD/Index Name]
N,N-Dimethyl-2-[(S)-[2-(2-methyl-2-propanyl)phenyl](phenyl)methoxy]ethanamin [German] [ACD/IUPAC Name]
N,N-Dimethyl-2-[(S)-[2-(2-methyl-2-propanyl)phenyl](phenyl)methoxy]ethanamine [ACD/IUPAC Name]
N,N-Diméthyl-2-[(S)-[2-(2-méthyl-2-propanyl)phényl](phényl)méthoxy]éthanamine [French] [ACD/IUPAC Name]
604-74-0 [RN]
bufenadrine [INN]
UNII-9Y0T619B3U

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

Density: 1.0±0.1 g/cm3
Boiling Point: 392.1±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 115.4±27.4 °C
Index of Refraction: 1.532
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 7.62
ACD/KOC (pH 5.5): 22.95
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 252.13
ACD/KOC (pH 7.4): 759.83
Polar Surface Area: 12 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 315.9±3.0 cm3

Click to predict properties on the Chemicalize site


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