ChemSpider 2D Image | 1-[4-(Ethylamino)phenoxy]-3-(methyl{3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl}amino)-2-propanol | C28H33F3N2O3

1-[4-(Ethylamino)phenoxy]-3-(methyl{3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl}amino)-2-propanol

  • Molecular FormulaC28H33F3N2O3
  • Average mass502.568 Da
  • Monoisotopic mass502.244324 Da
  • ChemSpider ID31147473

More details:

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

1-[4-(Ethylamino)phenoxy]-3-(methyl{3-phenyl-3-[4-(trifluormethyl)phenoxy]propyl}amino)-2-propanol [German] [ACD/IUPAC Name]
1-[4-(Ethylamino)phenoxy]-3-(methyl{3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl}amino)-2-propanol [ACD/IUPAC Name]
1-[4-(Éthylamino)phénoxy]-3-(méthyl{3-phényl-3-[4-(trifluorométhyl)phénoxy]propyl}amino)-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[4-(ethylamino)phenoxy]-3-[methyl[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]- [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: 641.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 341.9±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 135.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 28.92
ACD/KOC (pH 5.5): 59.52
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 3231.05
ACD/KOC (pH 7.4): 6650.26
Polar Surface Area: 54 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 416.9±3.0 cm3

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