2-(2-methoxy-4-methylphenoxy)-5-methylaniline

• ChemBase ID: 19855
• Molecular Formular: C15H17NO2
• Molecular Mass: 243.30098
• Monoisotopic Mass: 243.12592879
• SMILES: O(c1c(cc(cc1)C)N)c1c(cc(cc1)C)OC
• Canonical SMILES: COc1cc(C)ccc1Oc1ccc(cc1N)C
• InChI: InChI=1S/C15H17NO2/c1-10-4-6-13(12(16)8-10)18-14-7-5-11(2)9-15(14)17-3/h4-9H,16H2,1-3H3
• InChIKey: KPYBKZOVURWYOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxy-4-methylphenoxy)-5-methylaniline
• IUPAC Traditional name: 2-(2-methoxy-4-methylphenoxy)-5-methylaniline
• Synonyms: 2-(2-Methoxy-4-methylphenoxy)-5-methylphenylamine

Database IDs

• MDL Number: MFCD08688051
• PubChem SID: 160983162
• PubChem CID: 26189507

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.51149
• LogD (pH = 7.4): 3.5137496
• Log P: 3.5137784
• Molar Refractivity: 73.5448 cm^3
• Polarizability: 27.850662 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false