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Search term: DWIFPRVVASXUJK-GOSISDBHSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 6-[2-(2,3-Difluoro-5-{2-[(2R)-1-methyl-2-pyrrolidinyl]ethyl}phenyl)ethyl]-4-methyl-2-pyridinamine | C21H27F2N3

6-[2-(2,3-Difluoro-5-{2-[(2R)-1-methyl-2-pyrrolidinyl]ethyl}phenyl)ethyl]-4-methyl-2-pyridinamine

  • Molecular FormulaC21H27F2N3
  • Average mass359.456 Da
  • Monoisotopic mass359.217316 Da
  • ChemSpider ID129185729

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyridinamine, 6-[2-[2,3-difluoro-5-[2-[(2R)-1-methyl-2-pyrrolidinyl]ethyl]phenyl]ethyl]-4-methyl- [ACD/Index Name]
6-[2-(2,3-Difluor-5-{2-[(2R)-1-methyl-2-pyrrolidinyl]ethyl}phenyl)ethyl]-4-methyl-2-pyridinamin [German] [ACD/IUPAC Name]
6-[2-(2,3-Difluoro-5-{2-[(2R)-1-methyl-2-pyrrolidinyl]ethyl}phenyl)ethyl]-4-methyl-2-pyridinamine [ACD/IUPAC Name]
6-[2-(2,3-Difluoro-5-{2-[(2R)-1-méthyl-2-pyrrolidinyl]éthyl}phényl)éthyl]-4-méthyl-2-pyridinamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 456.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 230.0±27.3 °C
Index of Refraction: 1.566
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 1.97
ACD/KOC (pH 7.4): 8.27
Polar Surface Area: 42 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 311.8±3.0 cm3

Click to predict properties on the Chemicalize site


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