2-(2,6-dimethylphenoxy)aniline

• ChemBase ID: 262918
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: O(c1c(cccc1C)C)c1c(N)cccc1
• Canonical SMILES: Nc1ccccc1Oc1c(C)cccc1C
• InChI: InChI=1S/C14H15NO/c1-10-6-5-7-11(2)14(10)16-13-9-4-3-8-12(13)15/h3-9H,15H2,1-2H3
• InChIKey: UHVRHECMNPFEBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethylphenoxy)aniline
• IUPAC Traditional name: 2-(2,6-dimethylphenoxy)aniline
• Synonyms: 2-(2,6-dimethylphenoxy)aniline

Database IDs

• MDL Number: MFCD03426214
• PubChem SID: 164318828
• PubChem CID: 1512530

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6694202
• LogD (pH = 7.4): 3.6714242
• Log P: 3.67145
• Molar Refractivity: 67.0816 cm^3
• Polarizability: 25.358793 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.191

Product Information

• Purity: 95%