ChemSpider 2D Image | 2-{[2-(2-Fluorobenzyl)-1-phenyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}-N-isopropylpropanamide | C28H31FN2O2

2-{[2-(2-Fluorobenzyl)-1-phenyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}-N-isopropylpropanamide

  • Molecular FormulaC28H31FN2O2
  • Average mass446.556 Da
  • Monoisotopic mass446.236969 Da
  • ChemSpider ID22703157

More details:

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

2-{[2-(2-Fluorbenzyl)-1-phenyl-1,2,3,4-tetrahydro-7-isochinolinyl]oxy}-N-isopropylpropanamid [German] [ACD/IUPAC Name]
2-{[2-(2-Fluorobenzyl)-1-phényl-1,2,3,4-tétrahydro-7-isoquinoléinyl]oxy}-N-isopropylpropanamide [French] [ACD/IUPAC Name]
2-{[2-(2-Fluorobenzyl)-1-phenyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}-N-isopropylpropanamide [ACD/IUPAC Name]
Propanamide, 2-[[2-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1-phenyl-7-isoquinolinyl]oxy]-N-(1-methylethyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 596.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.6±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 129.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 705.04
ACD/KOC (pH 5.5): 2461.16
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3122.46
ACD/KOC (pH 7.4): 10899.89
Polar Surface Area: 42 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 387.2±3.0 cm3

Click to predict properties on the Chemicalize site


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