2-methoxy-4-phenoxyaniline hydrochloride

• ChemBase ID: 241780
• Molecular Formular: C13H14ClNO2
• Molecular Mass: 251.70876
• Monoisotopic Mass: 251.07130637
• SMILES: c1(cc(Oc2ccccc2)ccc1N)OC.Cl
• Canonical SMILES: COc1cc(ccc1N)Oc1ccccc1.Cl
• InChI: InChI=1S/C13H13NO2.ClH/c1-15-13-9-11(7-8-12(13)14)16-10-5-3-2-4-6-10;/h2-9H,14H2,1H3;1H
• InChIKey: KUCJAQSMMZSCPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-phenoxyaniline hydrochloride
• IUPAC Traditional name: 2-methoxy-4-phenoxyaniline hydrochloride
• Synonyms: 2-methoxy-4-phenoxyaniline hydrochloride

Database IDs

• MDL Number: MFCD22565920
• PubChem SID: 164297690
• PubChem CID: 71756871

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4586573
• LogD (pH = 7.4): 2.486568
• Log P: 2.4869359
• Molar Refractivity: 63.4624 cm^3
• Polarizability: 24.317602 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): 3.282

Product Information

• Purity: 95%