[2-(benzyloxy)phenyl]methanamine

• ChemBase ID: 294208
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: NCc1ccccc1OCc1ccccc1
• Canonical SMILES: NCc1ccccc1OCc1ccccc1
• InChI: InChI=1S/C14H15NO/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-9H,10-11,15H2
• InChIKey: KOGOOCNDBVXUPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(benzyloxy)phenyl]methanamine
• IUPAC Traditional name: [2-(benzyloxy)phenyl]methanamine
• Synonyms: (2-(Benzyloxy)phenyl)methanamine; 1-[2-(benzyloxy)phenyl]methanamine

Database IDs

• CAS Number: 108289-24-3
• MDL Number: MFCD07786678
• PubChem SID: 180679739
• PubChem CID: 13754432

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

Product Information

• Purity: 95+%