ChemSpider 2D Image | 6-{[(3R,4R)-4-(2-{[(1S,2R)-2-(3-Fluorophenyl)cyclopropyl]amino}ethoxy)-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine | C22H29FN4O

6-{[(3R,4R)-4-(2-{[(1S,2R)-2-(3-Fluorophenyl)cyclopropyl]amino}ethoxy)-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine

  • Molecular FormulaC22H29FN4O
  • Average mass384.490 Da
  • Monoisotopic mass384.232544 Da
  • ChemSpider ID29418162
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

2-Pyridinamine, 6-[[(3R,4R)-4-[2-[[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]amino]ethoxy]-3-pyrrolidinyl]methyl]-4-methyl- [ACD/Index Name]
6-{[(3R,4R)-4-(2-{[(1S,2R)-2-(3-Fluorophenyl)cyclopropyl]amino}ethoxy)-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine [ACD/IUPAC Name]
6-{[(3R,4R)-4-(2-{[(1S,2R)-2-(3-Fluorophényl)cyclopropyl]amino}éthoxy)-3-pyrrolidinyl]méthyl}-4-méthyl-2-pyridinamine [French] [ACD/IUPAC Name]
6-{[(3r,4r)-4-(2-{[(1s,2r)-2-(3-Fluorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-Yl]methyl}-4-Methylpyridin-2-Amine
6-{[(3R,4R)-4-(2-{[(1S,2R)-2-(3-Fluorphenyl)cyclopropyl]amino}ethoxy)-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamin [German] [ACD/IUPAC Name]
10.1016/j.bmc.2012.12.019
Y2B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 550.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.6±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 108.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): -2.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.14
Polar Surface Area: 72 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 315.9±5.0 cm3

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