methyl({[3-(phenoxymethyl)phenyl]methyl})amine

• ChemBase ID: 101457
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: O(Cc1cc(CNC)ccc1)c1ccccc1
• Canonical SMILES: CNCc1cccc(c1)COc1ccccc1
• InChI: InChI=1S/C15H17NO/c1-16-11-13-6-5-7-14(10-13)12-17-15-8-3-2-4-9-15/h2-10,16H,11-12H2,1H3
• InChIKey: SJJAAVHTAVKEJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[3-(phenoxymethyl)phenyl]methyl})amine
• IUPAC Traditional name: methyl({[3-(phenoxymethyl)phenyl]methyl})amine
• Synonyms: N-methyl-3-(phenoxymethyl)benzylamine

Database IDs

• CAS Number: 910037-24-0
• MDL Number: MFCD09025919
• PubChem SID: 162089165
• PubChem CID: 18525916

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.090337284
• LogD (pH = 7.4): 0.9098007
• Log P: 3.0983965
• Molar Refractivity: 70.3818 cm^3
• Polarizability: 27.697477 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%