[(4-chlorophenyl)(pyridin-2-yl)methyl](ethyl)amine

• ChemBase ID: 272783
• Molecular Formular: C14H15ClN2
• Molecular Mass: 246.7353
• Monoisotopic Mass: 246.09237617
• SMILES: C(c1ccc(cc1)Cl)(c1ncccc1)NCC
• Canonical SMILES: CCNC(c1ccccn1)c1ccc(cc1)Cl
• InChI: InChI=1S/C14H15ClN2/c1-2-16-14(13-5-3-4-10-17-13)11-6-8-12(15)9-7-11/h3-10,14,16H,2H2,1H3
• InChIKey: CONJPXUNPIRBPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-chlorophenyl)(pyridin-2-yl)methyl](ethyl)amine
• IUPAC Traditional name: [(4-chlorophenyl)(pyridin-2-yl)methyl](ethyl)amine
• Synonyms: [(4-chlorophenyl)(pyridin-2-yl)methyl](ethyl)amine

Database IDs

• MDL Number: MFCD13155179
• PubChem SID: 164328693
• PubChem CID: 50987971

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0109047
• LogD (pH = 7.4): 2.7261078
• Log P: 3.2926762
• Molar Refractivity: 70.5382 cm^3
• Polarizability: 27.936037 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.603

Product Information

• Purity: 95%