4-[2-(methylamino)ethoxy]phenol hydrochloride

• ChemBase ID: 275729
• Molecular Formular: C9H14ClNO2
• Molecular Mass: 203.66596
• Monoisotopic Mass: 203.07130637
• SMILES: c1(ccc(cc1)OCCNC)O.Cl
• Canonical SMILES: CNCCOc1ccc(cc1)O.Cl
• InChI: InChI=1S/C9H13NO2.ClH/c1-10-6-7-12-9-4-2-8(11)3-5-9;/h2-5,10-11H,6-7H2,1H3;1H
• InChIKey: JGZBYGLAUYCAOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(methylamino)ethoxy]phenol hydrochloride
• IUPAC Traditional name: 4-[2-(methylamino)ethoxy]phenol hydrochloride
• Synonyms: 4-[2-(methylamino)ethoxy]phenol hydrochloride

Database IDs

• MDL Number: MFCD18917406
• PubChem SID: 164331639
• PubChem CID: 54593832

CALCULATED PROPERTIES

• Acid pKa: 10.078984
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0280018
• LogD (pH = 7.4): -0.94856125
• Log P: 0.69140667
• Molar Refractivity: 47.2265 cm^3
• Polarizability: 18.656504 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 206 - 208°C
• Hydrophobicity(logP): 1.08

Product Information

• Purity: 95%