[4-(diethylamino)phenyl]methanol

• ChemBase ID: 263139
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(N(CC)CC)ccc(cc1)CO
• Canonical SMILES: CCN(c1ccc(cc1)CO)CC
• InChI: InChI=1S/C11H17NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-8,13H,3-4,9H2,1-2H3
• InChIKey: XBWPETQKXGERGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(diethylamino)phenyl]methanol
• IUPAC Traditional name: P-diethylaminobenzyl alcohol
• Synonyms: [4-(diethylamino)phenyl]methanol

Database IDs

• MDL Number: MFCD06202619
• PubChem SID: 164319049
• PubChem CID: 250092

CALCULATED PROPERTIES

• Acid pKa: 15.144795
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6515715
• LogD (pH = 7.4): 2.0200844
• Log P: 2.0275557
• Molar Refractivity: 56.7997 cm^3
• Polarizability: 21.29954 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%