3-chloro-N-cyclohexyl-N-ethyl-5-(trifluoromethyl)pyridin-2-amine

• ChemBase ID: 48390
• Molecular Formular: C14H18ClF3N2
• Molecular Mass: 306.7543296
• Monoisotopic Mass: 306.11106093
• SMILES: c1(ncc(C(F)(F)F)cc1Cl)N(C1CCCCC1)CC
• Canonical SMILES: CCN(c1ncc(cc1Cl)C(F)(F)F)C1CCCCC1
• InChI: InChI=1S/C14H18ClF3N2/c1-2-20(11-6-4-3-5-7-11)13-12(15)8-10(9-19-13)14(16,17)18/h8-9,11H,2-7H2,1H3
• InChIKey: LAHPVDGRVRCUGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-cyclohexyl-N-ethyl-5-(trifluoromethyl)pyridin-2-amine
• IUPAC Traditional name: 3-chloro-N-cyclohexyl-N-ethyl-5-(trifluoromethyl)pyridin-2-amine
• Synonyms: 3-Chloro-N-cyclohexyl-N-ethyl-5-(trifluoromethyl)-2-pyridinamine

Database IDs

• MDL Number: MFCD13561846
• PubChem SID: 162053153
• PubChem CID: 53409744

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.091724
• LogD (pH = 7.4): 5.0959916
• Log P: 5.0960464
• Molar Refractivity: 75.1845 cm^3
• Polarizability: 27.587914 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false