2-(2-aminoethyl)-6-methoxyphenol

• ChemBase ID: 269728
• Molecular Formular: C9H13NO2
• Molecular Mass: 167.20502
• Monoisotopic Mass: 167.09462866
• SMILES: c1(c(OC)cccc1CCN)O
• Canonical SMILES: NCCc1cccc(c1O)OC
• InChI: InChI=1S/C9H13NO2/c1-12-8-4-2-3-7(5-6-10)9(8)11/h2-4,11H,5-6,10H2,1H3
• InChIKey: QKCSVOQSBJXICK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethyl)-6-methoxyphenol
• IUPAC Traditional name: 2-(2-aminoethyl)-6-methoxyphenol
• Synonyms: 2-(2-aminoethyl)-6-methoxyphenol

Database IDs

• MDL Number: MFCD06212693
• PubChem SID: 164325638
• PubChem CID: 20118748

CALCULATED PROPERTIES

• Acid pKa: 10.304757
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0496397
• LogD (pH = 7.4): -1.0268965
• Log P: 0.62814635
• Molar Refractivity: 47.7305 cm^3
• Polarizability: 18.581184 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.565

Product Information

• Purity: 95%