ChemSpider 2D Image | 6-{[(3S,4S)-4-{[5-(3-Fluorophenyl)pentyl]oxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine | C22H30FN3O

6-{[(3S,4S)-4-{[5-(3-Fluorophenyl)pentyl]oxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine

  • Molecular FormulaC22H30FN3O
  • Average mass371.491 Da
  • Monoisotopic mass371.237305 Da
  • ChemSpider ID35033845

  • 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-[[5-(3-fluorophenyl)pentyl]oxy]-3-pyrrolidinyl]methyl]-4-methyl- [ACD/Index Name]
6-{[(3S,4S)-4-{[5-(3-Fluorophenyl)pentyl]oxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine [ACD/IUPAC Name]
6-{[(3S,4S)-4-{[5-(3-Fluorophényl)pentyl]oxy}-3-pyrrolidinyl]méthyl}-4-méthyl-2-pyridinamine [French] [ACD/IUPAC Name]
6-{[(3s,4s)-4-{[5-(3-Fluorophenyl)pentyl]oxy}pyrrolidin-3-Yl]methyl}-4-Methylpyridin-2-Amine
6-{[(3S,4S)-4-{[5-(3-Fluorphenyl)pentyl]oxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamin [German] [ACD/IUPAC Name]
HW4

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

Density: 1.1±0.1 g/cm3
Boiling Point: 531.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.1±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 107.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 5.19
ACD/KOC (pH 7.4): 31.73
Polar Surface Area: 60 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 326.0±5.0 cm3

Click to predict properties on the Chemicalize site


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