ChemSpider 2D Image | 6-{[(3S,4S)-4-{[(4E)-5-(3-Fluorophenyl)-4-penten-1-yl]oxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine | C22H28FN3O

6-{[(3S,4S)-4-{[(4E)-5-(3-Fluorophenyl)-4-penten-1-yl]oxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine

  • Molecular FormulaC22H28FN3O
  • Average mass369.476 Da
  • Monoisotopic mass369.221649 Da
  • ChemSpider ID35033846

  • 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-[[(4E)-5-(3-fluorophenyl)-4-penten-1-yl]oxy]-3-pyrrolidinyl]methyl]-4-methyl- [ACD/Index Name]
6-{[(3S,4S)-4-{[(4E)-5-(3-Fluorophenyl)-4-penten-1-yl]oxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine [ACD/IUPAC Name]
6-{[(3S,4S)-4-{[(4E)-5-(3-Fluorophényl)-4-pentén-1-yl]oxy}-3-pyrrolidinyl]méthyl}-4-méthyl-2-pyridinamine [French] [ACD/IUPAC Name]
6-{[(3S,4S)-4-{[(4E)-5-(3-Fluorphenyl)-4-penten-1-yl]oxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamin [German] [ACD/IUPAC Name]
6-{[(3s,4s)-4-{[(4e)-5-(3-Fluorophenyl)pent-4-En-1-Yl]oxy}pyrrolidin-3-Yl]methyl}-4-Methylpyridin-2-Amine
HW5

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

Density: 1.2±0.1 g/cm3
Boiling Point: 550.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 286.9±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 107.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 3.84
ACD/KOC (pH 7.4): 25.80
Polar Surface Area: 60 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 319.3±5.0 cm3

Click to predict properties on the Chemicalize site


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