ChemSpider 2D Image | (2S)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methyl-3-pentanol | C15H25NO2

(2S)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methyl-3-pentanol

  • Molecular FormulaC15H25NO2
  • Average mass251.365 Da
  • Monoisotopic mass251.188522 Da
  • ChemSpider ID67968493

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methyl-3-pentanol [German] [ACD/IUPAC Name]
(2S)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methyl-3-pentanol [ACD/IUPAC Name]
(2S)-1-(Diméthylamino)-3-(3-méthoxyphényl)-2-méthyl-3-pentanol [French] [ACD/IUPAC Name]
Benzenemethanol, α-[(1S)-2-(dimethylamino)-1-methylethyl]-α-ethyl-3-methoxy- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 362.9±37.0 °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: 173.3±26.5 °C
Index of Refraction: 1.509
Molar Refractivity: 75.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.23
Polar Surface Area: 33 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 251.3±3.0 cm3

Click to predict properties on the Chemicalize site


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