2-(3,5-dimethylphenoxy)aniline

• ChemBase ID: 19536
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c1(Oc2c(N)cccc2)cc(cc(c1)C)C
• Canonical SMILES: Cc1cc(cc(c1)C)Oc1ccccc1N
• InChI: InChI=1S/C14H15NO/c1-10-7-11(2)9-12(8-10)16-14-6-4-3-5-13(14)15/h3-9H,15H2,1-2H3
• InChIKey: MLIUMXPVBZUZAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-dimethylphenoxy)aniline
• IUPAC Traditional name: 2-(3,5-dimethylphenoxy)aniline
• Synonyms: 2-(3,5-Dimethylphenoxy)aniline

Database IDs

• MDL Number: MFCD07365110
• PubChem SID: 160982843
• PubChem CID: 12290049

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6694455
• LogD (pH = 7.4): 3.6714246
• Log P: 3.67145
• Molar Refractivity: 67.0816 cm^3
• Polarizability: 25.356873 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