ChemSpider 2D Image | 1-{4-[(4-Methylbenzyl)oxy]phenyl}-N-(2-thienylmethyl)methanamine | C20H21NOS

1-{4-[(4-Methylbenzyl)oxy]phenyl}-N-(2-thienylmethyl)methanamine

  • Molecular FormulaC20H21NOS
  • Average mass323.452 Da
  • Monoisotopic mass323.134369 Da
  • ChemSpider ID21584785

More details:

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

1-{4-[(4-Methylbenzyl)oxy]phenyl}-N-(2-thienylmethyl)methanamin [German] [ACD/IUPAC Name]
1-{4-[(4-Methylbenzyl)oxy]phenyl}-N-(2-thienylmethyl)methanamine [ACD/IUPAC Name]
1-{4-[(4-Méthylbenzyl)oxy]phényl}-N-(2-thiénylméthyl)méthanamine [French] [ACD/IUPAC Name]
2-Thiophenemethanamine, N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]- [ACD/Index Name]
({4-[(4-METHYLPHENYL)METHOXY]PHENYL}METHYL)(THIOPHEN-2-YLMETHYL)AMINE
({4-[(4-METHYLPHENYL)METHOXY]PHENYL}METHYL)[(THIOPHEN-2-YL)METHYL]AMINE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 466.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.8±27.3 °C
Index of Refraction: 1.613
Molar Refractivity: 98.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 6.08
ACD/KOC (pH 5.5): 23.44
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 296.73
ACD/KOC (pH 7.4): 1143.93
Polar Surface Area: 50 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 282.2±3.0 cm3

Click to predict properties on the Chemicalize site


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