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

• ChemBase ID: 20520
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: O(c1c(C)cccc1)c1cc(c(cc1)N)C
• Canonical SMILES: Cc1cc(ccc1N)Oc1ccccc1C
• InChI: InChI=1S/C14H15NO/c1-10-5-3-4-6-14(10)16-12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3
• InChIKey: RWJAIZLCFIZMFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08688263
• PubChem SID: 160983827
• PubChem CID: 22079081

CALCULATED PROPERTIES

• Log P: 3.67145
• Molar Refractivity: 67.0816 cm^3
• Polarizability: 25.355856 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6466117
• LogD (pH = 7.4): 3.671128

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false