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

• ChemBase ID: 282602
• Molecular Formular: C12H11ClN2
• Molecular Mass: 218.68214
• Monoisotopic Mass: 218.06107604
• SMILES: C(c1ccc(cc1)Cl)(c1ncccc1)N
• Canonical SMILES: Clc1ccc(cc1)C(c1ccccn1)N
• InChI: InChI=1S/C12H11ClN2/c13-10-6-4-9(5-7-10)12(14)11-3-1-2-8-15-11/h1-8,12H,14H2
• InChIKey: VUJAPENWAJMJON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorophenyl)(pyridin-2-yl)methanamine
• IUPAC Traditional name: (4-chlorophenyl)(pyridin-2-yl)methanamine
• Synonyms: (4-chlorophenyl)(pyridin-2-yl)methanamine

Database IDs

• MDL Number: MFCD09902277
• PubChem SID: 180668133
• PubChem CID: 13405704

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.06999636
• LogD (pH = 7.4): 1.7613692
• Log P: 2.5032878
• Molar Refractivity: 61.015 cm^3
• Polarizability: 24.24724 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%