methyl[(3-phenoxyphenyl)methyl]amine

• ChemBase ID: 101382
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: O(c1cc(CNC)ccc1)c1ccccc1
• Canonical SMILES: CNCc1cccc(c1)Oc1ccccc1
• InChI: InChI=1S/C14H15NO/c1-15-11-12-6-5-9-14(10-12)16-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3
• InChIKey: GDVLOOQWWBPGSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(3-phenoxyphenyl)methyl]amine
• IUPAC Traditional name: methyl[(3-phenoxyphenyl)methyl]amine
• Synonyms: N-methyl-3-phenoxybenzylamine

Database IDs

• CAS Number: 129535-78-0
• MDL Number: MFCD02089413
• PubChem SID: 162087932
• PubChem CID: 10512764

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.1381238
• LogD (pH = 7.4): 0.9720349
• Log P: 3.0318818
• Molar Refractivity: 65.5468 cm^3
• Polarizability: 25.914747 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%