ChemSpider 2D Image | 6-({(3R,4R)-4-[4-(3-Chloro-5-fluorophenoxy)butoxy]-3-pyrrolidinyl}methyl)-4-methyl-2-pyridinamine | C21H27ClFN3O2

6-({(3R,4R)-4-[4-(3-Chloro-5-fluorophenoxy)butoxy]-3-pyrrolidinyl}methyl)-4-methyl-2-pyridinamine

  • Molecular FormulaC21H27ClFN3O2
  • Average mass407.909 Da
  • Monoisotopic mass407.177582 Da
  • ChemSpider ID35033848

  • 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-[4-(3-chloro-5-fluorophenoxy)butoxy]-3-pyrrolidinyl]methyl]-4-methyl- [ACD/Index Name]
6-({(3R,4R)-4-[4-(3-Chlor-5-fluorphenoxy)butoxy]-3-pyrrolidinyl}methyl)-4-methyl-2-pyridinamin [German] [ACD/IUPAC Name]
6-({(3R,4R)-4-[4-(3-Chloro-5-fluorophenoxy)butoxy]-3-pyrrolidinyl}methyl)-4-methyl-2-pyridinamine [ACD/IUPAC Name]
6-({(3R,4R)-4-[4-(3-Chloro-5-fluorophénoxy)butoxy]-3-pyrrolidinyl}méthyl)-4-méthyl-2-pyridinamine [French] [ACD/IUPAC Name]
6-({(3r,4r)-4-[4-(3-Chloro-5-Fluorophenoxy)butoxy]pyrrolidin-3-Yl}methyl)-4-Methylpyridin-2-Amine
HW7

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

Density: 1.2±0.1 g/cm3
Boiling Point: 552.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 287.9±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 109.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 4.32
ACD/KOC (pH 7.4): 28.09
Polar Surface Area: 69 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 326.7±5.0 cm3

Click to predict properties on the Chemicalize site


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