ChemSpider 2D Image | 6-({(3s,4s)-4-[2-({2,2-Difluoro-2-[(2r)-Piperidin-2-Yl]ethyl}amino)ethoxy]pyrrolidin-3-Yl}methyl)-4-Methylpyridin-2-Amine | C20H33F2N5O

6-({(3s,4s)-4-[2-({2,2-Difluoro-2-[(2r)-Piperidin-2-Yl]ethyl}amino)ethoxy]pyrrolidin-3-Yl}methyl)-4-Methylpyridin-2-Amine

  • Molecular FormulaC20H33F2N5O
  • Average mass397.506 Da
  • Monoisotopic mass397.265320 Da
  • ChemSpider ID26325574
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

6-({(3s,4s)-4-[2-({2,2-Difluoro-2-[(2r)-Piperidin-2-Yl]ethyl}amino)ethoxy]pyrrolidin-3-Yl}methyl)-4-Methylpyridin-2-Amine
2-Pyridinamine, 6-[[(3S,4S)-4-[2-[[2,2-difluoro-2-[(2R)-2-piperidinyl]ethyl]amino]ethoxy]-3-pyrrolidinyl]methyl]-4-methyl- [ACD/Index Name]
3XF
6-({(3S,4S)-4-[2-({2,2-Difluor-2-[(2R)-2-piperidinyl]ethyl}amino)ethoxy]-3-pyrrolidinyl}methyl)-4-methyl-2-pyridinamin [German] [ACD/IUPAC Name]
6-({(3S,4S)-4-[2-({2,2-Difluoro-2-[(2R)-2-piperidinyl]ethyl}amino)ethoxy]-3-pyrrolidinyl}methyl)-4-methyl-2-pyridinamine [ACD/IUPAC Name]
6-({(3S,4S)-4-[2-({2,2-Difluoro-2-[(2R)-2-pipéridinyl]éthyl}amino)éthoxy]-3-pyrrolidinyl}méthyl)-4-méthyl-2-pyridinamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 537.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.7±30.1 °C
Index of Refraction: 1.549
Molar Refractivity: 106.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.12
ACD/LogD (pH 5.5): -3.64
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): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 334.5±5.0 cm3

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