ChemSpider 2D Image | 1-(3,4-Dihydro-2(1H)-isoquinolinyl)-3-(5-fluoro-2,3-dimethyl-1H-indol-1-yl)-2-propanol | C22H25FN2O

1-(3,4-Dihydro-2(1H)-isoquinolinyl)-3-(5-fluoro-2,3-dimethyl-1H-indol-1-yl)-2-propanol

  • Molecular FormulaC22H25FN2O
  • Average mass352.445 Da
  • Monoisotopic mass352.195099 Da
  • ChemSpider ID21663412

More details:






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

1-(3,4-Dihydro-2(1H)-isochinolinyl)-3-(5-fluor-2,3-dimethyl-1H-indol-1-yl)-2-propanol [German] [ACD/IUPAC Name]
1-(3,4-Dihydro-2(1H)-isoquinoléinyl)-3-(5-fluoro-2,3-diméthyl-1H-indol-1-yl)-2-propanol [French] [ACD/IUPAC Name]
1-(3,4-Dihydro-2(1H)-isoquinolinyl)-3-(5-fluoro-2,3-dimethyl-1H-indol-1-yl)-2-propanol [ACD/IUPAC Name]
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(5-fluoro-2,3-dimethyl-1H-indol-1-yl)propan-2-ol
2(1H)-Isoquinolineethanol, α-[(5-fluoro-2,3-dimethyl-1H-indol-1-yl)methyl]-3,4-dihydro- [ACD/Index Name]
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-fluoro-2,3-dimethylindol-1-yl)propan-2-ol
1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(5-fluoro-2,3-dimethyl-indol-1-yl)-propan-2-ol
955294-96-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 325.9±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 60.0±3.0 kJ/mol
Flash Point: 150.9±24.8 °C
Index of Refraction: 1.614
Molar Refractivity: 102.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 11.05
ACD/KOC (pH 5.5): 42.91
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 557.71
ACD/KOC (pH 7.4): 2165.91
Polar Surface Area: 28 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 292.6±7.0 cm3

Click to predict properties on the Chemicalize site






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