ChemSpider 2D Image | 1-(2-{[(2,4-Difluorobenzyl)amino]methyl}-5-methoxyphenoxy)-3-(1-pyrrolidinyl)-2-propanol | C22H28F2N2O3

1-(2-{[(2,4-Difluorobenzyl)amino]methyl}-5-methoxyphenoxy)-3-(1-pyrrolidinyl)-2-propanol

  • Molecular FormulaC22H28F2N2O3
  • Average mass406.466 Da
  • Monoisotopic mass406.206787 Da
  • ChemSpider ID22168132

More details:

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

1-(2-{[(2,4-Difluorbenzyl)amino]methyl}-5-methoxyphenoxy)-3-(1-pyrrolidinyl)-2-propanol [German] [ACD/IUPAC Name]
1-(2-{[(2,4-Difluorobenzyl)amino]methyl}-5-methoxyphenoxy)-3-(1-pyrrolidinyl)-2-propanol [ACD/IUPAC Name]
1-(2-{[(2,4-Difluorobenzyl)amino]méthyl}-5-méthoxyphénoxy)-3-(1-pyrrolidinyl)-2-propanol [French] [ACD/IUPAC Name]
1-Pyrrolidineethanol, α-[[2-[[[(2,4-difluorophenyl)methyl]amino]methyl]-5-methoxyphenoxy]methyl]- [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: 549.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 286.0±30.1 °C
Index of Refraction: 1.558
Molar Refractivity: 108.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.95
Polar Surface Area: 54 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 334.9±3.0 cm3

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