2-(4-methoxyphenoxy)-4-methylaniline

• ChemBase ID: 19926
• Molecular Formular: C14H15NO2
• Molecular Mass: 229.2744
• Monoisotopic Mass: 229.11027873
• SMILES: c1(Oc2ccc(cc2)OC)c(ccc(c1)C)N
• Canonical SMILES: COc1ccc(cc1)Oc1cc(C)ccc1N
• InChI: InChI=1S/C14H15NO2/c1-10-3-8-13(15)14(9-10)17-12-6-4-11(16-2)5-7-12/h3-9H,15H2,1-2H3
• InChIKey: YSUQMCNXDDAOKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenoxy)-4-methylaniline
• IUPAC Traditional name: 2-(4-methoxyphenoxy)-4-methylaniline
• Synonyms: 2-(4-Methoxyphenoxy)-4-methylaniline

Database IDs

• MDL Number: MFCD08688074
• PubChem SID: 160983233
• PubChem CID: 26189597

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.996865
• LogD (pH = 7.4): 3.000313
• Log P: 3.0003572
• Molar Refractivity: 68.5036 cm^3
• Polarizability: 26.082556 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