ChemSpider 2D Image | N-Isopropyl-N-(2-{[(2S,3S)-6-methoxy-1,1-dimethyl-2,3-diphenyl-2,3-dihydro-1H-inden-4-yl]oxy}ethyl)-2-propanamine | C32H41NO2

N-Isopropyl-N-(2-{[(2S,3S)-6-methoxy-1,1-dimethyl-2,3-diphenyl-2,3-dihydro-1H-inden-4-yl]oxy}ethyl)-2-propanamine

  • Molecular FormulaC32H41NO2
  • Average mass471.673 Da
  • Monoisotopic mass471.313721 Da
  • ChemSpider ID29403937
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-Propanamine, N-[2-[[(2S,3S)-2,3-dihydro-6-methoxy-1,1-dimethyl-2,3-diphenyl-1H-inden-4-yl]oxy]ethyl]-N-(1-methylethyl)- [ACD/Index Name]
N-Isopropyl-N-(2-{[(2S,3S)-6-methoxy-1,1-dimethyl-2,3-diphenyl-2,3-dihydro-1H-inden-4-yl]oxy}ethyl)-2-propanamin [German] [ACD/IUPAC Name]
N-Isopropyl-N-(2-{[(2S,3S)-6-methoxy-1,1-dimethyl-2,3-diphenyl-2,3-dihydro-1H-inden-4-yl]oxy}ethyl)-2-propanamine [ACD/IUPAC Name]
N-Isopropyl-N-(2-{[(2S,3S)-6-méthoxy-1,1-diméthyl-2,3-diphényl-2,3-dihydro-1H-indén-4-yl]oxy}éthyl)-2-propanamine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 540.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 132.5±18.7 °C
Index of Refraction: 1.552
Molar Refractivity: 146.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 8.85
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 537.18
ACD/KOC (pH 5.5): 419.54
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 3169.66
ACD/KOC (pH 7.4): 2475.49
Polar Surface Area: 22 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 456.9±3.0 cm3

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