N-methyl-2-phenoxyaniline

• ChemBase ID: 265592
• Molecular Formular: C13H13NO
• Molecular Mass: 199.24842
• Monoisotopic Mass: 199.09971404
• SMILES: c1(Oc2ccccc2)c(NC)cccc1
• Canonical SMILES: CNc1ccccc1Oc1ccccc1
• InChI: InChI=1S/C13H13NO/c1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h2-10,14H,1H3
• InChIKey: KWLMNTMQLZGMDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-phenoxyaniline
• IUPAC Traditional name: N-methyl-2-phenoxyaniline
• Synonyms: N-methyl-2-phenoxyaniline

Database IDs

• MDL Number: MFCD11151225
• PubChem SID: 164321502
• PubChem CID: 22961955

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9367392
• LogD (pH = 7.4): 2.9461894
• Log P: 2.9463112
• Molar Refractivity: 62.4926 cm^3
• Polarizability: 23.66996 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.739

Product Information

• Purity: 95%