methyl({[4-(phenoxymethyl)phenyl]methyl})amine

• ChemBase ID: 101467
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: O(Cc1ccc(cc1)CNC)c1ccccc1
• Canonical SMILES: CNCc1ccc(cc1)COc1ccccc1
• InChI: InChI=1S/C15H17NO/c1-16-11-13-7-9-14(10-8-13)12-17-15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3
• InChIKey: PSMWUOSOWNRPOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[4-(phenoxymethyl)phenyl]methyl})amine
• IUPAC Traditional name: methyl({[4-(phenoxymethyl)phenyl]methyl})amine
• Synonyms: N-methyl-4-(phenoxymethyl)benzylamine

Database IDs

• CAS Number: 941716-90-1
• MDL Number: MFCD09879942
• PubChem SID: 162086779
• PubChem CID: 24229704

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.09214056
• LogD (pH = 7.4): 0.89543945
• 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: 95%