ChemSpider 2D Image | 2-({3-Bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzyl}amino)-2-methyl-1-propanol | C20H26BrNO3

2-({3-Bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzyl}amino)-2-methyl-1-propanol

  • Molecular FormulaC20H26BrNO3
  • Average mass408.329 Da
  • Monoisotopic mass407.109589 Da
  • ChemSpider ID21536590

More details:

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

1-Propanol, 2-[[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]amino]-2-methyl- [ACD/Index Name]
2-({3-Brom-5-methoxy-4-[(4-methylbenzyl)oxy]benzyl}amino)-2-methyl-1-propanol [German] [ACD/IUPAC Name]
2-({3-Bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzyl}amino)-2-methyl-1-propanol [ACD/IUPAC Name]
2-({3-Bromo-5-méthoxy-4-[(4-méthylbenzyl)oxy]benzyl}amino)-2-méthyl-1-propanol [French] [ACD/IUPAC Name]
2-[({3-BROMO-5-METHOXY-4-[(4-METHYLPHENYL)METHOXY]PHENYL}METHYL)AMINO]-2-METHYLPROPAN-1-OL

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

Density: 1.3±0.1 g/cm3
Boiling Point: 517.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 266.9±28.7 °C
Index of Refraction: 1.573
Molar Refractivity: 105.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 8.20
ACD/KOC (pH 5.5): 35.67
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 408.83
ACD/KOC (pH 7.4): 1778.23
Polar Surface Area: 51 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 319.3±3.0 cm3

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