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Search term: XXBAYVUJUAKTFU-FCHUYYIVSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Fluoro-6-(isobutylamino)-4-{(1R)-2-[1-(4-isopropylphenyl)ethyl]-6-methoxy-1-methyl-1,2,3,4-tetrahydro-5-isoquinolinyl}phenol | C32H41FN2O2

2-Fluoro-6-(isobutylamino)-4-{(1R)-2-[1-(4-isopropylphenyl)ethyl]-6-methoxy-1-methyl-1,2,3,4-tetrahydro-5-isoquinolinyl}phenol

  • Molecular FormulaC32H41FN2O2
  • Average mass504.678 Da
  • Monoisotopic mass504.315216 Da
  • ChemSpider ID129303713

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-Fluor-6-(isobutylamino)-4-{(1R)-2-[1-(4-isopropylphenyl)ethyl]-6-methoxy-1-methyl-1,2,3,4-tetrahydro-5-isochinolinyl}phenol [German] [ACD/IUPAC Name]
2-Fluoro-6-(isobutylamino)-4-{(1R)-2-[1-(4-isopropylphényl)éthyl]-6-méthoxy-1-méthyl-1,2,3,4-tétrahydro-5-isoquinoléinyl}phénol [French] [ACD/IUPAC Name]
2-Fluoro-6-(isobutylamino)-4-{(1R)-2-[1-(4-isopropylphenyl)ethyl]-6-methoxy-1-methyl-1,2,3,4-tetrahydro-5-isoquinolinyl}phenol [ACD/IUPAC Name]
Phenol, 2-fluoro-6-[(2-methylpropyl)amino]-4-[(1R)-1,2,3,4-tetrahydro-6-methoxy-1-methyl-2-[1-[4-(1-methylethyl)phenyl]ethyl]-5-isoquinolinyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 586.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 308.2±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 151.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.12
ACD/LogD (pH 5.5): 7.28
ACD/BCF (pH 5.5): 189628.27
ACD/KOC (pH 5.5): 193856.92
ACD/LogD (pH 7.4): 7.38
ACD/BCF (pH 7.4): 235912.14
ACD/KOC (pH 7.4): 241172.91
Polar Surface Area: 45 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 454.2±3.0 cm3

Click to predict properties on the Chemicalize site


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