ChemSpider 2D Image | N-[2-(1,3-Benzodioxol-5-yl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-1-propanamine | C28H32FNO4

N-[2-(1,3-Benzodioxol-5-yl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-1-propanamine

  • Molecular FormulaC28H32FNO4
  • Average mass465.556 Da
  • Monoisotopic mass465.231537 Da
  • ChemSpider ID58877338

More details:

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

1,3-Benzodioxole-5-ethanamine, N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(2-fluorophenyl)propyl]- [ACD/Index Name]
N-[2-(1,3-Benzodioxol-5-yl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-1-propanamine [ACD/IUPAC Name]
N-[2-(1,3-Benzodioxol-5-yl)éthyl]-N-[2-(3,4-diméthoxyphényl)éthyl]-3-(2-fluorophényl)-1-propanamine [French] [ACD/IUPAC Name]
N-[2-(1,3-Benzodioxol-5-yl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorphenyl)-1-propanamin [German] [ACD/IUPAC 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: 584.4±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: 307.2±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 131.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 13.64
ACD/KOC (pH 5.5): 34.67
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 442.40
ACD/KOC (pH 7.4): 1124.28
Polar Surface Area: 40 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 396.8±3.0 cm3

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