2-(3-methoxyphenoxy)-5-methylaniline

• ChemBase ID: 19834
• Molecular Formular: C14H15NO2
• Molecular Mass: 229.2744
• Monoisotopic Mass: 229.11027873
• SMILES: c1(c(cc(cc1)C)N)Oc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)Oc1ccc(cc1N)C
• InChI: InChI=1S/C14H15NO2/c1-10-6-7-14(13(15)8-10)17-12-5-3-4-11(9-12)16-2/h3-9H,15H2,1-2H3
• InChIKey: QFFKBDRKAXGJQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenoxy)-5-methylaniline
• IUPAC Traditional name: 2-(3-methoxyphenoxy)-5-methylaniline
• Synonyms: 2-(3-Methoxyphenoxy)-5-methylaniline

Database IDs

• MDL Number: MFCD08688073
• PubChem SID: 160983141
• PubChem CID: 17605666

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9980907
• LogD (pH = 7.4): 3.0003285
• Log P: 3.0003572
• Molar Refractivity: 68.5036 cm^3
• Polarizability: 26.083696 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