2-(4-ethylphenoxy)-5-methylaniline

• ChemBase ID: 19858
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: c1(c(cc(cc1)C)N)Oc1ccc(cc1)CC
• Canonical SMILES: CCc1ccc(cc1)Oc1ccc(cc1N)C
• InChI: InChI=1S/C15H17NO/c1-3-12-5-7-13(8-6-12)17-15-9-4-11(2)10-14(15)16/h4-10H,3,16H2,1-2H3
• InChIKey: VANTVEIZIDCKLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethylphenoxy)-5-methylaniline
• IUPAC Traditional name: 2-(4-ethylphenoxy)-5-methylaniline
• Synonyms: 2-(4-Ethylphenoxy)-5-methylaniline

Database IDs

• MDL Number: MFCD08687772
• PubChem SID: 160983165
• PubChem CID: 26189510

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.1129417
• LogD (pH = 7.4): 4.1159797
• Log P: 4.1160183
• Molar Refractivity: 71.6826 cm^3
• Polarizability: 27.201283 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false