ChemSpider 2D Image | (6S,11R)-3-(cyclopropylmethyl)-6,11-dimethyl-N-(4-methylphenyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-amine | C25H32N2

(6S,11R)-3-(cyclopropylmethyl)-6,11-dimethyl-N-(4-methylphenyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-amine

  • Molecular FormulaC25H32N2
  • Average mass360.535 Da
  • Monoisotopic mass360.256561 Da
  • ChemSpider ID23238845

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,13R)-10-(Cyclopropylmethyl)-1,13-dimethyl-N-(4-methylphenyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-amin [German] [ACD/IUPAC Name]
(1S,13R)-10-(Cyclopropylmethyl)-1,13-dimethyl-N-(4-methylphenyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-4-amine [ACD/IUPAC Name]
(1S,13R)-10-(Cyclopropylméthyl)-1,13-diméthyl-N-(4-méthylphényl)-10-azatricyclo[7.3.1.02,7]tridéca-2,4,6-trién-4-amine [French] [ACD/IUPAC Name]
(6S,11R)-3-(cyclopropylmethyl)-6,11-dimethyl-N-(4-methylphenyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-amine
2,6-Methano-3-benzazocin-8-amine, 3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-N-(4-methylphenyl)-, (6S,11R)- [ACD/Index Name]
(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-yl)-p-tolyl-amine
CHEMBL355403
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL355403/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 486.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 156.7±19.7 °C
Index of Refraction: 1.617
Molar Refractivity: 113.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 6.70
ACD/KOC (pH 5.5): 18.72
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 86.30
ACD/KOC (pH 7.4): 241.21
Polar Surface Area: 15 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 325.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement