ChemSpider 2D Image | 6-{[(3S,4S)-4-(2-{[2-(3-Fluorophenyl)ethyl]amino}ethoxy)-3-pyrrolidinyl]methyl}-2-pyridinamine | C20H27FN4O

6-{[(3S,4S)-4-(2-{[2-(3-Fluorophenyl)ethyl]amino}ethoxy)-3-pyrrolidinyl]methyl}-2-pyridinamine

  • Molecular FormulaC20H27FN4O
  • Average mass358.453 Da
  • Monoisotopic mass358.216888 Da
  • ChemSpider ID25061076

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyridinamine, 6-[[(3S,4S)-4-[2-[[2-(3-fluorophenyl)ethyl]amino]ethoxy]-3-pyrrolidinyl]methyl]- [ACD/Index Name]
6-{[(3S,4S)-4-(2-{[2-(3-Fluorophenyl)ethyl]amino}ethoxy)-3-pyrrolidinyl]methyl}-2-pyridinamine [ACD/IUPAC Name]
6-{[(3S,4S)-4-(2-{[2-(3-Fluorophényl)éthyl]amino}éthoxy)-3-pyrrolidinyl]méthyl}-2-pyridinamine [French] [ACD/IUPAC Name]
6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
6-{[(3S,4S)-4-(2-{[2-(3-Fluorphenyl)ethyl]amino}ethoxy)-3-pyrrolidinyl]methyl}-2-pyridinamin [German] [ACD/IUPAC Name]
59W

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

Density: 1.2±0.1 g/cm3
Boiling Point: 520.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 268.4±30.1 °C
Index of Refraction: 1.589
Molar Refractivity: 101.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): -2.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 72 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 301.6±5.0 cm3

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