4-(4-ethylphenoxy)-2-methylaniline

• ChemBase ID: 20556
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: c1(c(ccc(c1)Oc1ccc(cc1)CC)N)C
• Canonical SMILES: CCc1ccc(cc1)Oc1ccc(c(c1)C)N
• InChI: InChI=1S/C15H17NO/c1-3-12-4-6-13(7-5-12)17-14-8-9-15(16)11(2)10-14/h4-10H,3,16H2,1-2H3
• InChIKey: AXTAVWBCCWCPJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08687775
• PubChem SID: 160983863
• PubChem CID: 26190351

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.0949044
• LogD (pH = 7.4): 4.115746
• Log P: 4.1160183
• Molar Refractivity: 71.6826 cm^3
• Polarizability: 27.199854 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