2-(2,4-dimethylphenoxy)aniline

• ChemBase ID: 19520
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: O(c1c(cc(cc1)C)C)c1c(N)cccc1
• Canonical SMILES: Cc1ccc(c(c1)C)Oc1ccccc1N
• InChI: InChI=1S/C14H15NO/c1-10-7-8-13(11(2)9-10)16-14-6-4-3-5-12(14)15/h3-9H,15H2,1-2H3
• InChIKey: GTQNUMZUANLZQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dimethylphenoxy)aniline
• IUPAC Traditional name: 2-(2,4-dimethylphenoxy)aniline
• Synonyms: 2-(2,4-Dimethylphenoxy)aniline

Database IDs

• MDL Number: MFCD08687618
• PubChem SID: 160982827
• PubChem CID: 12290050

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6694307
• LogD (pH = 7.4): 3.6714244
• Log P: 3.67145
• Molar Refractivity: 67.0816 cm^3
• Polarizability: 25.357214 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