ChemSpider 2D Image | (1R,2R)-1-(6-Bromo-2-methoxy-3-quinolinyl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenyl-2-butanol | C32H31BrN2O2

(1R,2R)-1-(6-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 ID24690715

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2R)-1-(6-Brom-2-methoxy-3-chinolinyl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenyl-2-butanol [German] [ACD/IUPAC Name]
(1R,2R)-1-(6-Bromo-2-méthoxy-3-quinoléinyl)-4-(diméthylamino)-2-(1-naphtyl)-1-phényl-2-butanol [French] [ACD/IUPAC Name]
(1R,2R)-1-(6-Bromo-2-methoxy-3-quinolinyl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenyl-2-butanol [ACD/IUPAC Name]
3-Quinolineethanol, 6-bromo-α-[2-(dimethylamino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl-, (αR,βR)- [ACD/Index Name]
(1R,2R)-1-(6-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol
(1R,2R)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
(αr,βr)-6-bromo-α-[2-(dimethylamino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl-3-quinolineethanol
654653-92-6 [RN]
843663-66-1 [RN]
857086-94-3 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

TMC-207 [DBID]

    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: 7.59
    ACD/LogD (pH 5.5): 3.93
    ACD/BCF (pH 5.5): 111.89
    ACD/KOC (pH 5.5): 149.16
    ACD/LogD (pH 7.4): 5.32
    ACD/BCF (pH 7.4): 2793.35
    ACD/KOC (pH 7.4): 3723.64
    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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