[4-(benzyloxy)phenyl]methanamine

• ChemBase ID: 117291
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: O(c1ccc(cc1)CN)Cc1ccccc1
• Canonical SMILES: NCc1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C14H15NO/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,10-11,15H2
• InChIKey: JDOJFXVTTCGROH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(benzyloxy)phenyl]methanamine
• IUPAC Traditional name: [4-(benzyloxy)phenyl]methanamine
• Synonyms: 4-Benzyloxy-benzylamine; 1-[4-(benzyloxy)phenyl]methanamine

Database IDs

• CAS Number: 22171-15-9
• MDL Number: MFCD03410962
• PubChem SID: 162102473
• PubChem CID: 4292845

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

Physical Property

• Melting Point: 51 - 53°C
• Partition Coefficient: 2.66
• Hydrophobicity(logP): 2.781

Product Information

• Purity: 95%; 95+%