ChemSpider 2D Image | (1R,2S)-1-(5-Bromo-2-methoxy-3-quinolinyl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenyl-2-butanol | C32H31BrN2O2

(1R,2S)-1-(5-Bromo-2-methoxy-3-quinolinyl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenyl-2-butanol

  • Molecular FormulaC32H31BrN2O2
  • Average mass555.505 Da
  • Monoisotopic mass554.156860 Da
  • ChemSpider ID58790034

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-1-(5-Brom-2-methoxy-3-chinolinyl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenyl-2-butanol [German] [ACD/IUPAC Name]
(1R,2S)-1-(5-Bromo-2-méthoxy-3-quinoléinyl)-4-(diméthylamino)-2-(1-naphtyl)-1-phényl-2-butanol [French] [ACD/IUPAC Name]
(1R,2S)-1-(5-Bromo-2-methoxy-3-quinolinyl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenyl-2-butanol [ACD/IUPAC Name]
3-Quinolineethanol, 5-bromo-α-[2-(dimethylamino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl-, (αS,βR)- [ACD/Index Name]
654655-60-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 702.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 378.8±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 156.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.82
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 133.30
ACD/KOC (pH 5.5): 169.17
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 3340.59
ACD/KOC (pH 7.4): 4239.45
Polar Surface Area: 46 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 420.1±3.0 cm3

Click to predict properties on the Chemicalize site


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