(3-chlorophenyl)(pyridin-2-yl)methanamine

• ChemBase ID: 238521
• Molecular Formular: C12H11ClN2
• Molecular Mass: 218.68214
• Monoisotopic Mass: 218.06107604
• SMILES: c1(C(c2ncccc2)N)cc(Cl)ccc1
• Canonical SMILES: Clc1cccc(c1)C(c1ccccn1)N
• InChI: InChI=1S/C12H11ClN2/c13-10-5-3-4-9(8-10)12(14)11-6-1-2-7-15-11/h1-8,12H,14H2
• InChIKey: AHGHYTLHTMRGLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chlorophenyl)(pyridin-2-yl)methanamine
• IUPAC Traditional name: (3-chlorophenyl)(pyridin-2-yl)methanamine
• Synonyms: (3-chlorophenyl)(pyridin-2-yl)methanamine

Database IDs

• MDL Number: MFCD16111891
• PubChem SID: 164294431
• PubChem CID: 13405703

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.11193184
• LogD (pH = 7.4): 1.8059459
• Log P: 2.5032878
• Molar Refractivity: 61.015 cm^3
• Polarizability: 24.247976 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.658

Product Information

• Purity: 95%