ChemSpider 2D Image | (2R)-1-[5-(2-Thienylmethoxy)-1H-indol-3-yl]-2-propanamine | C16H18N2OS

(2R)-1-[5-(2-Thienylmethoxy)-1H-indol-3-yl]-2-propanamine

  • Molecular FormulaC16H18N2OS
  • Average mass286.392 Da
  • Monoisotopic mass286.113983 Da
  • ChemSpider ID32809892
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-1-[5-(2-Thienylmethoxy)-1H-indol-3-yl]-2-propanamin [German] [ACD/IUPAC Name]
(2R)-1-[5-(2-Thienylmethoxy)-1H-indol-3-yl]-2-propanamine [ACD/IUPAC Name]
(2R)-1-[5-(2-Thiénylméthoxy)-1H-indol-3-yl]-2-propanamine [French] [ACD/IUPAC Name]
1H-Indole-3-ethanamine, α-methyl-5-(2-thienylmethoxy)-, (αR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 488.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 249.2±27.3 °C
Index of Refraction: 1.670
Molar Refractivity: 85.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.06
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.78
Polar Surface Area: 79 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 229.4±3.0 cm3

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