[2-(benzyloxy)phenyl]methanamine hydrochloride

• ChemBase ID: 123805
• Molecular Formular: C14H16ClNO
• Molecular Mass: 249.73594
• Monoisotopic Mass: 249.09204182
• SMILES: c1(c(OCc2ccccc2)cccc1)CN.Cl
• Canonical SMILES: NCc1ccccc1OCc1ccccc1.Cl
• InChI: InChI=1S/C14H15NO.ClH/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12;/h1-9H,10-11,15H2;1H
• InChIKey: WIBRTIIDPUUXJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(benzyloxy)phenyl]methanamine hydrochloride
• IUPAC Traditional name: [2-(benzyloxy)phenyl]methanamine hydrochloride
• Synonyms: (2-(benzyloxy)phenyl)methanamine hydrochloride; [2-(benzyloxy)phenyl]methanamine hydrochloride

Database IDs

• MDL Number: MFCD11520394
• PubChem SID: 162218158
• PubChem CID: 13754433

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.22893086
• LogD (pH = 7.4): 1.1100001
• Log P: 2.665816
• Molar Refractivity: 65.6072 cm^3
• Polarizability: 25.850864 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 188 - 190°C
• Hydrophobicity(logP): 2.781

Product Information

• Purity: 95%
• Salt Data: HCl