ChemSpider 2D Image | 3-[(1S)-3,3-Dimethyl-1-phenyl-1,3-dihydro-2-benzofuran-1-yl]-N-methyl-1-propanamine | C20H25NO

3-[(1S)-3,3-Dimethyl-1-phenyl-1,3-dihydro-2-benzofuran-1-yl]-N-methyl-1-propanamine

  • Molecular FormulaC20H25NO
  • Average mass295.419 Da
  • Monoisotopic mass295.193604 Da
  • ChemSpider ID34985545

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Isobenzofuranpropanamine, 1,3-dihydro-N,3,3-trimethyl-1-phenyl-, (1S)- [ACD/Index Name]
3-[(1S)-3,3-Dimethyl-1-phenyl-1,3-dihydro-2-benzofuran-1-yl]-N-methyl-1-propanamin [German] [ACD/IUPAC Name]
3-[(1S)-3,3-Dimethyl-1-phenyl-1,3-dihydro-2-benzofuran-1-yl]-N-methyl-1-propanamine [ACD/IUPAC Name]
3-[(1S)-3,3-Diméthyl-1-phényl-1,3-dihydro-2-benzofuran-1-yl]-N-méthyl-1-propanamine [French] [ACD/IUPAC Name]
7182-51-6 [RN]
Talopram [Wiki]
UNII-5PY881HC79

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

Density: 1.0±0.1 g/cm3
Boiling Point: 403.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 175.3±15.4 °C
Index of Refraction: 1.542
Molar Refractivity: 91.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.34
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 8.19
Polar Surface Area: 21 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 290.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement