4-(4-methoxyphenoxy)aniline hydrochloride

• ChemBase ID: 20152
• Molecular Formular: C13H14ClNO2
• Molecular Mass: 251.70876
• Monoisotopic Mass: 251.07130637
• SMILES: O(c1ccc(N)cc1)c1ccc(cc1)OC.Cl
• Canonical SMILES: COc1ccc(cc1)Oc1ccc(cc1)N.Cl
• InChI: InChI=1S/C13H13NO2.ClH/c1-15-11-6-8-13(9-7-11)16-12-4-2-10(14)3-5-12;/h2-9H,14H2,1H3;1H
• InChIKey: WYGDSMFJNISZPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09879183
• PubChem SID: 160983459
• PubChem CID: 45075266

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.464635
• LogD (pH = 7.4): 2.4866476
• Log P: 2.4869359
• Molar Refractivity: 63.4624 cm^3
• Polarizability: 24.31542 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