Found 1 result

Search term: LLEZATCTDGWSJC-FQEVSTJZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-[2-(3-Fluoro-5-{2-[(2R)-1-methyl-2-pyrrolidinyl]ethyl}phenyl)ethyl]-4-methyl-2-pyridinamine | C21H28FN3

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

  • Molecular FormulaC21H28FN3
  • Average mass341.466 Da
  • Monoisotopic mass341.226715 Da
  • ChemSpider ID128439528

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyridinamine, 6-[2-[3-fluoro-5-[2-[(2R)-1-methyl-2-pyrrolidinyl]ethyl]phenyl]ethyl]-4-methyl- [ACD/Index Name]
6-[2-(3-Fluor-5-{2-[(2R)-1-methyl-2-pyrrolidinyl]ethyl}phenyl)ethyl]-4-methyl-2-pyridinamin [German] [ACD/IUPAC Name]
6-[2-(3-Fluoro-5-{2-[(2R)-1-methyl-2-pyrrolidinyl]ethyl}phenyl)ethyl]-4-methyl-2-pyridinamine [ACD/IUPAC Name]
6-[2-(3-Fluoro-5-{2-[(2R)-1-méthyl-2-pyrrolidinyl]éthyl}phényl)éthyl]-4-méthyl-2-pyridinamine [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4467114/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 454.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 228.5±27.3 °C
Index of Refraction: 1.576
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: 4.66
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 1.51
ACD/KOC (pH 7.4): 6.51
Polar Surface Area: 42 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 307.6±3.0 cm3

Click to predict properties on the Chemicalize site


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