ChemSpider 2D Image | (1S,2R)-1-[(4-Methoxyphenyl)(methyl)amino]-3-(methylamino)-1-phenyl-2-propanol | C18H24N2O2

(1S,2R)-1-[(4-Methoxyphenyl)(methyl)amino]-3-(methylamino)-1-phenyl-2-propanol

  • Molecular FormulaC18H24N2O2
  • Average mass300.395 Da
  • Monoisotopic mass300.183777 Da
  • ChemSpider ID24693326

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2R)-1-[(4-Methoxyphenyl)(methyl)amino]-3-(methylamino)-1-phenyl-2-propanol [German] [ACD/IUPAC Name]
(1S,2R)-1-[(4-Methoxyphenyl)(methyl)amino]-3-(methylamino)-1-phenyl-2-propanol [ACD/IUPAC Name]
(1S,2R)-1-[(4-Méthoxyphényl)(méthyl)amino]-3-(méthylamino)-1-phényl-2-propanol [French] [ACD/IUPAC Name]
Benzeneethanol, β-[(4-methoxyphenyl)methylamino]-α-[(methylamino)methyl]-, (αR,βS)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL467513/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 466.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 236.0±28.7 °C
Index of Refraction: 1.589
Molar Refractivity: 90.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.70
Polar Surface Area: 45 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 269.1±3.0 cm3

Click to predict properties on the Chemicalize site


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