methyl[(2-phenoxyphenyl)methyl]amine

• ChemBase ID: 78588
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: O(c1ccccc1CNC)c1ccccc1
• Canonical SMILES: CNCc1ccccc1Oc1ccccc1
• InChI: InChI=1S/C14H15NO/c1-15-11-12-7-5-6-10-14(12)16-13-8-3-2-4-9-13/h2-10,15H,11H2,1H3
• InChIKey: IMIUMEQDSKHKST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(2-phenoxyphenyl)methyl]amine
• IUPAC Traditional name: methyl[(2-phenoxyphenyl)methyl]amine
• Synonyms: N-methyl-N-(2-phenoxybenzyl)amine; N-Methyl-N-(2-phenoxy)benzylamine 97+%

Database IDs

• CAS Number: 361394-74-3
• MDL Number: MFCD02089412
• PubChem SID: 162043351
• PubChem CID: 23512750

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.082659274
• LogD (pH = 7.4): 1.2321827
• Log P: 3.0318818
• Molar Refractivity: 65.5468 cm^3
• Polarizability: 25.914927 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%