4-methyl-2-(2-methylphenoxy)aniline

• ChemBase ID: 19902
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c1(Oc2c(C)cccc2)c(ccc(c1)C)N
• Canonical SMILES: Cc1ccc(c(c1)Oc1ccccc1C)N
• InChI: InChI=1S/C14H15NO/c1-10-7-8-12(15)14(9-10)16-13-6-4-3-5-11(13)2/h3-9H,15H2,1-2H3
• InChIKey: AMMHJCNNXVDYKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(2-methylphenoxy)aniline
• IUPAC Traditional name: 4-methyl-2-(2-methylphenoxy)aniline
• Synonyms: 4-Methyl-2-(2-methylphenoxy)aniline

Database IDs

• MDL Number: MFCD08688269
• PubChem SID: 160983209
• PubChem CID: 26189560

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6669137
• LogD (pH = 7.4): 3.6713924
• Log P: 3.67145
• Molar Refractivity: 67.0816 cm^3
• Polarizability: 25.357004 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