5-methyl-2-(3-methylphenoxy)aniline

• ChemBase ID: 19838
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c1(c(cc(cc1)C)N)Oc1cc(ccc1)C
• Canonical SMILES: Cc1ccc(c(c1)N)Oc1cccc(c1)C
• InChI: InChI=1S/C14H15NO/c1-10-4-3-5-12(8-10)16-14-7-6-11(2)9-13(14)15/h3-9H,15H2,1-2H3
• InChIKey: ZGKOXWCOVBVUGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2-(3-methylphenoxy)aniline
• IUPAC Traditional name: 5-methyl-2-(3-methylphenoxy)aniline
• Synonyms: 5-Methyl-2-(3-methylphenoxy)aniline

Database IDs

• MDL Number: MFCD08688273
• PubChem SID: 160983145
• PubChem CID: 17605664

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.668483
• LogD (pH = 7.4): 3.6714122
• Log P: 3.67145
• Molar Refractivity: 67.0816 cm^3
• Polarizability: 25.35632 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false