methyl[(4-phenoxyphenyl)methyl]amine

• ChemBase ID: 92553
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: O(c1ccccc1)c1ccc(cc1)CNC
• Canonical SMILES: CNCc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C14H15NO/c1-15-11-12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
• InChIKey: YWBKPTGYRUSBFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(4-phenoxyphenyl)methyl]amine
• IUPAC Traditional name: methyl[(4-phenoxyphenyl)methyl]amine
• Synonyms: N-methyl-N-(4-phenoxybenzyl)amine; N-methyl-1-(4-phenoxyphenyl)methanamine; N-Methyl-1-(4-phenoxyphenyl)methylamine; N-Methyl-4-phenoxybenzylamine 97%

Database IDs

• CAS Number: 169943-40-2
• MDL Number: MFCD02089415
• PubChem SID: 162079251
• PubChem CID: 10608640

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.1479182
• LogD (pH = 7.4): 0.9088463
• Log P: 3.0318818
• Molar Refractivity: 65.5468 cm^3
• Polarizability: 25.914717 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic/Corrosive

Product Information

• Purity: 97%