4-(2-phenylethyl)pyridin-2-amine hydrochloride

• ChemBase ID: 235437
• Molecular Formular: C13H15ClN2
• Molecular Mass: 234.7246
• Monoisotopic Mass: 234.09237617
• SMILES: n1c(cc(CCc2ccccc2)cc1)N.Cl
• Canonical SMILES: Nc1nccc(c1)CCc1ccccc1.Cl
• InChI: InChI=1S/C13H14N2.ClH/c14-13-10-12(8-9-15-13)7-6-11-4-2-1-3-5-11;/h1-5,8-10H,6-7H2,(H2,14,15);1H
• InChIKey: WNMHPDYSPQJFRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-phenylethyl)pyridin-2-amine hydrochloride
• IUPAC Traditional name: 4-(2-phenylethyl)pyridin-2-amine hydrochloride
• Synonyms: 4-(2-phenylethyl)pyridin-2-amine hydrochloride

Database IDs

• MDL Number: MFCD22056420
• PubChem SID: 164291347
• PubChem CID: 71755511

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.692922
• LogD (pH = 7.4): 2.7489078
• Log P: 3.0574677
• Molar Refractivity: 63.2532 cm^3
• Polarizability: 23.725899 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 2.764

Product Information

• Purity: 95%