[3-(ethylamino)phenyl]methanol

• ChemBase ID: 266772
• Molecular Formular: C9H13NO
• Molecular Mass: 151.20562
• Monoisotopic Mass: 151.09971404
• SMILES: N(c1cc(CO)ccc1)CC
• Canonical SMILES: CCNc1cccc(c1)CO
• InChI: InChI=1S/C9H13NO/c1-2-10-9-5-3-4-8(6-9)7-11/h3-6,10-11H,2,7H2,1H3
• InChIKey: ZXQDQDWDUYLEPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(ethylamino)phenyl]methanol
• IUPAC Traditional name: [3-(ethylamino)phenyl]methanol
• Synonyms: [3-(ethylamino)phenyl]methanol

Database IDs

• MDL Number: MFCD12147158
• PubChem SID: 164322682
• PubChem CID: 586013

CALCULATED PROPERTIES

• Acid pKa: 15.109009
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9672391
• LogD (pH = 7.4): 1.0345523
• Log P: 1.0354822
• Molar Refractivity: 47.8163 cm^3
• Polarizability: 17.610306 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.132

Product Information

• Purity: 95%