[4-(benzyloxy)phenyl]methanamine hydrochloride

• ChemBase ID: 123806
• Molecular Formular: C14H16ClNO
• Molecular Mass: 249.73594
• Monoisotopic Mass: 249.09204182
• SMILES: O(c1ccc(cc1)CN)Cc1ccccc1.Cl
• Canonical SMILES: NCc1ccc(cc1)OCc1ccccc1.Cl
• InChI: InChI=1S/C14H15NO.ClH/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;/h1-9H,10-11,15H2;1H
• InChIKey: RSZFCDGHJLBYEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(benzyloxy)phenyl]methanamine hydrochloride
• IUPAC Traditional name: [4-(benzyloxy)phenyl]methanamine hydrochloride
• Synonyms: (4-(benzyloxy)phenyl)methanamine hydrochloride

Database IDs

• PubChem SID: 162218159
• PubChem CID: 23372523

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.32225388
• LogD (pH = 7.4): 0.6155651
• Log P: 2.665816
• Molar Refractivity: 65.6072 cm^3
• Polarizability: 25.850613 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl