[3-(benzyloxy)phenyl]methanamine

• ChemBase ID: 258807
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: O(c1cc(CN)ccc1)Cc1ccccc1
• Canonical SMILES: NCc1cccc(c1)OCc1ccccc1
• InChI: InChI=1S/C14H15NO/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9H,10-11,15H2
• InChIKey: WAMBEHWAKBRTGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(benzyloxy)phenyl]methanamine
• IUPAC Traditional name: [3-(benzyloxy)phenyl]methanamine
• Synonyms: [3-(benzyloxy)phenyl]methanamine; 1-[3-(benzyloxy)phenyl]methanamine

Database IDs

• CAS Number: 104566-43-0
• MDL Number: MFCD07786725
• PubChem SID: 164314717
• PubChem CID: 11009288

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.31450847
• LogD (pH = 7.4): 0.6808134
• Log P: 2.665816
• Molar Refractivity: 65.6072 cm^3
• Polarizability: 25.850647 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.781

Product Information

• Purity: 95%