ChemSpider 2D Image | 1-[Isobutyl({1-[3-(trifluoromethyl)benzyl]-1H-pyrrol-2-yl}methyl)amino]-3-(2-methylphenoxy)-2-propanol | C27H33F3N2O2

1-[Isobutyl({1-[3-(trifluoromethyl)benzyl]-1H-pyrrol-2-yl}methyl)amino]-3-(2-methylphenoxy)-2-propanol

  • Molecular FormulaC27H33F3N2O2
  • Average mass474.558 Da
  • Monoisotopic mass474.249420 Da
  • ChemSpider ID21559368

More details:

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

1-[Isobutyl({1-[3-(trifluormethyl)benzyl]-1H-pyrrol-2-yl}methyl)amino]-3-(2-methylphenoxy)-2-propanol [German] [ACD/IUPAC Name]
1-[Isobutyl({1-[3-(trifluoromethyl)benzyl]-1H-pyrrol-2-yl}methyl)amino]-3-(2-methylphenoxy)-2-propanol [ACD/IUPAC Name]
1-[Isobutyl({1-[3-(trifluorométhyl)benzyl]-1H-pyrrol-2-yl}méthyl)amino]-3-(2-méthylphénoxy)-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-(2-methylphenoxy)-3-[(2-methylpropyl)[[1-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrol-2-yl]methyl]amino]- [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: 556.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 290.3±30.1 °C
Index of Refraction: 1.530
Molar Refractivity: 129.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 29.68
ACD/KOC (pH 5.5): 75.38
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 1482.89
ACD/KOC (pH 7.4): 3765.95
Polar Surface Area: 38 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 35.2±7.0 dyne/cm
Molar Volume: 418.1±7.0 cm3

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