[4-(phenoxymethyl)phenyl]methanamine

• ChemBase ID: 101465
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: O(Cc1ccc(cc1)CN)c1ccccc1
• Canonical SMILES: NCc1ccc(cc1)COc1ccccc1
• InChI: InChI=1S/C14H15NO/c15-10-12-6-8-13(9-7-12)11-16-14-4-2-1-3-5-14/h1-9H,10-11,15H2
• InChIKey: UFXUNJSPYPLGOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(phenoxymethyl)phenyl]methanamine
• IUPAC Traditional name: [4-(phenoxymethyl)phenyl]methanamine
• Synonyms: 4-(phenoxymethyl)benzylamine

Database IDs

• CAS Number: 872283-78-8
• MDL Number: MFCD09739042
• PubChem SID: 162087101
• PubChem CID: 16792244

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.32145205
• LogD (pH = 7.4): 0.6227451
• Log P: 2.665816
• Molar Refractivity: 65.6072 cm^3
• Polarizability: 25.850605 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%