ChemSpider 2D Image | 6-{[(3R,4R)-4-{[5-(3-Chloro-5-fluorophenyl)pentyl]oxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine | C22H29ClFN3O

6-{[(3R,4R)-4-{[5-(3-Chloro-5-fluorophenyl)pentyl]oxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine

  • Molecular FormulaC22H29ClFN3O
  • Average mass405.937 Da
  • Monoisotopic mass405.198303 Da
  • ChemSpider ID35033847

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyridinamine, 6-[[(3R,4R)-4-[[5-(3-chloro-5-fluorophenyl)pentyl]oxy]-3-pyrrolidinyl]methyl]-4-methyl- [ACD/Index Name]
6-{[(3R,4R)-4-{[5-(3-Chlor-5-fluorphenyl)pentyl]oxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamin [German] [ACD/IUPAC Name]
6-{[(3R,4R)-4-{[5-(3-Chloro-5-fluorophenyl)pentyl]oxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine [ACD/IUPAC Name]
6-{[(3R,4R)-4-{[5-(3-Chloro-5-fluorophényl)pentyl]oxy}-3-pyrrolidinyl]méthyl}-4-méthyl-2-pyridinamine [French] [ACD/IUPAC Name]
6-{[(3r,4r)-4-{[5-(3-Chloro-5-Fluorophenyl)pentyl]oxy}pyrrolidin-3-Yl]methyl}-4-Methylpyridin-2-Amine
HW6

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

Density: 1.2±0.1 g/cm3
Boiling Point: 549.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 285.9±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 112.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 15.33
ACD/KOC (pH 7.4): 68.96
Polar Surface Area: 60 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 336.8±5.0 cm3

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