ChemSpider 2D Image | 2-(4-Bromo-2-methylphenoxy)-N-[(5-chloro-2-thienyl)methyl]ethanamine | C14H15BrClNOS

2-(4-Bromo-2-methylphenoxy)-N-[(5-chloro-2-thienyl)methyl]ethanamine

  • Molecular FormulaC14H15BrClNOS
  • Average mass360.697 Da
  • Monoisotopic mass358.974609 Da
  • ChemSpider ID43128510

More details:






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

2-(4-Brom-2-methylphenoxy)-N-[(5-chlor-2-thienyl)methyl]ethanamin [German] [ACD/IUPAC Name]
2-(4-Bromo-2-methylphenoxy)-N-[(5-chloro-2-thienyl)methyl]ethanamine [ACD/IUPAC Name]
2-(4-Bromo-2-méthylphénoxy)-N-[(5-chloro-2-thiényl)méthyl]éthanamine [French] [ACD/IUPAC Name]
2-Thiophenemethanamine, N-[2-(4-bromo-2-methylphenoxy)ethyl]-5-chloro- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 438.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.5±3.0 kJ/mol
Flash Point: 218.9±28.7 °C
Index of Refraction: 1.605
Molar Refractivity: 86.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 40.58
ACD/KOC (pH 5.5): 164.06
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1206.71
ACD/KOC (pH 7.4): 4878.47
Polar Surface Area: 50 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 249.9±3.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form