ChemSpider 2D Image | {3-[(3-{[Methyl(6-quinolinylmethyl)amino]methyl}phenoxy)methyl]-1-piperidinyl}[2-(trifluoromethyl)phenyl]methanone | C32H32F3N3O2

{3-[(3-{[Methyl(6-quinolinylmethyl)amino]methyl}phenoxy)methyl]-1-piperidinyl}[2-(trifluoromethyl)phenyl]methanone

  • Molecular FormulaC32H32F3N3O2
  • Average mass547.611 Da
  • Monoisotopic mass547.244690 Da
  • ChemSpider ID22189251

More details:

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

{3-[(3-{[(6-Chinolinylmethyl)(methyl)amino]methyl}phenoxy)methyl]-1-piperidinyl}[2-(trifluormethyl)phenyl]methanon [German] [ACD/IUPAC Name]
{3-[(3-{[Méthyl(6-quinoléinylméthyl)amino]méthyl}phénoxy)méthyl]-1-pipéridinyl}[2-(trifluorométhyl)phényl]méthanone [French] [ACD/IUPAC Name]
{3-[(3-{[Methyl(6-quinolinylmethyl)amino]methyl}phenoxy)methyl]-1-piperidinyl}[2-(trifluoromethyl)phenyl]methanone [ACD/IUPAC Name]
Methanone, [3-[[3-[[methyl(6-quinolinylmethyl)amino]methyl]phenoxy]methyl]-1-piperidinyl][2-(trifluoromethyl)phenyl]- [ACD/Index Name]
N-methyl-1-(6-quinolinyl)-N-[3-({1-[2-(trifluoromethyl)benzoyl]-3-piperidinyl}methoxy)benzyl]methanamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 656.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.5±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 150.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 90.83
ACD/KOC (pH 5.5): 261.63
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3459.54
ACD/KOC (pH 7.4): 9965.39
Polar Surface Area: 46 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 442.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement