[2-(diethylamino)phenyl]methanol

• ChemBase ID: 262920
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(c(CO)cccc1)N(CC)CC
• Canonical SMILES: CCN(c1ccccc1CO)CC
• InChI: InChI=1S/C11H17NO/c1-3-12(4-2)11-8-6-5-7-10(11)9-13/h5-8,13H,3-4,9H2,1-2H3
• InChIKey: OQRPOJNFYIWTPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(diethylamino)phenyl]methanol
• IUPAC Traditional name: [2-(diethylamino)phenyl]methanol
• Synonyms: [2-(diethylamino)phenyl]methanol

Database IDs

• MDL Number: MFCD11190247
• PubChem SID: 164318830
• PubChem CID: 13021763

CALCULATED PROPERTIES

• Acid pKa: 14.968056
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9641508
• LogD (pH = 7.4): 2.0266972
• Log P: 2.0275557
• Molar Refractivity: 56.7997 cm^3
• Polarizability: 21.299915 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.327

Product Information

• Purity: 95%