ChemSpider 2D Image | (1R)-1,13-Dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-4-ol | C22H27NO

(1R)-1,13-Dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol

  • Molecular FormulaC22H27NO
  • Average mass321.456 Da
  • Monoisotopic mass321.209259 Da
  • ChemSpider ID23151408

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(1R)-1,13-Dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol [German] [ACD/IUPAC Name]
(1R)-1,13-Dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-ol [ACD/IUPAC Name]
(1R)-1,13-Diméthyl-10-(2-phényléthyl)-10-azatricyclo[7.3.1.02,7]tridéca-2,4,6-trién-4-ol [French] [ACD/IUPAC Name]
2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-phenylethyl)-, (6R)- [ACD/Index Name]
(1R)-1,13-dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL440301/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 461.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 220.5±27.4 °C
Index of Refraction: 1.590
Molar Refractivity: 98.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 5.67
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 16.46
ACD/KOC (pH 7.4): 74.00
Polar Surface Area: 23 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 293.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement