ChemSpider 2D Image | (1S)-N-[2-(4-Iodo-2,5-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)ethanamine | C19H24INO3

(1S)-N-[2-(4-Iodo-2,5-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)ethanamine

  • Molecular FormulaC19H24INO3
  • Average mass441.303 Da
  • Monoisotopic mass441.080078 Da
  • ChemSpider ID26599712

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-N-[2-(4-Iod-2,5-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)ethanamin [German] [ACD/IUPAC Name]
(1S)-N-[2-(4-Iodo-2,5-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)ethanamine [ACD/IUPAC Name]
(1S)-N-[2-(4-Iodo-2,5-diméthoxyphényl)éthyl]-1-(2-méthoxyphényl)éthanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 4-iodo-2,5-dimethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 497.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 254.6±28.7 °C
Index of Refraction: 1.578
Molar Refractivity: 106.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 2.45
ACD/KOC (pH 5.5): 9.76
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 64.71
ACD/KOC (pH 7.4): 257.75
Polar Surface Area: 40 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 319.6±3.0 cm3

Click to predict properties on the Chemicalize site


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