2-(4-methoxyphenoxy)aniline

• ChemBase ID: 19542
• Molecular Formular: C13H13NO2
• Molecular Mass: 215.24782
• Monoisotopic Mass: 215.09462866
• SMILES: c1(Oc2ccc(cc2)OC)c(N)cccc1
• Canonical SMILES: COc1ccc(cc1)Oc1ccccc1N
• InChI: InChI=1S/C13H13NO2/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h2-9H,14H2,1H3
• InChIKey: YNMZTLWFOGGZEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 105901-39-1
• MDL Number: MFCD04970991
• PubChem SID: 160982849
• PubChem CID: 361286

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4855087
• LogD (pH = 7.4): 2.4869177
• Log P: 2.4869359
• Molar Refractivity: 63.4624 cm^3
• Polarizability: 24.317492 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