3-methyl-4-(3-methylphenoxy)aniline

• ChemBase ID: 20377
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c1(c(cc(N)cc1)C)Oc1cc(ccc1)C
• Canonical SMILES: Nc1ccc(c(c1)C)Oc1cccc(c1)C
• InChI: InChI=1S/C14H15NO/c1-10-4-3-5-13(8-10)16-14-7-6-12(15)9-11(14)2/h3-9H,15H2,1-2H3
• InChIKey: HMCGPEZUQWSKPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-4-(3-methylphenoxy)aniline
• IUPAC Traditional name: 3-methyl-4-(3-methylphenoxy)aniline
• Synonyms: 3-Methyl-4-(3-methylphenoxy)aniline

Database IDs

• MDL Number: MFCD08688267
• PubChem SID: 160983684
• PubChem CID: 18616817

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 3.6144114
• LogD (pH = 7.4): 3.6706824
• Log P: 3.67145
• Molar Refractivity: 67.0816 cm^3
• Polarizability: 25.355808 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false