1-[2-(dimethylamino)-6-fluorophenyl]ethan-1-ol

• ChemBase ID: 278001
• Molecular Formular: C10H14FNO
• Molecular Mass: 183.2226632
• Monoisotopic Mass: 183.10594229
• SMILES: c1(c(N(C)C)cccc1F)C(O)C
• Canonical SMILES: CN(c1cccc(c1C(O)C)F)C
• InChI: InChI=1S/C10H14FNO/c1-7(13)10-8(11)5-4-6-9(10)12(2)3/h4-7,13H,1-3H3
• InChIKey: XLBZSKYJGLKEMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(dimethylamino)-6-fluorophenyl]ethan-1-ol
• IUPAC Traditional name: 1-[2-(dimethylamino)-6-fluorophenyl]ethanol
• Synonyms: 1-[2-(dimethylamino)-6-fluorophenyl]ethan-1-ol

Database IDs

• MDL Number: MFCD12186168
• PubChem SID: 164333911
• PubChem CID: 43506059

CALCULATED PROPERTIES

• Acid pKa: 14.379501
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8730822
• LogD (pH = 7.4): 1.8732151
• Log P: 1.8732169
• Molar Refractivity: 51.9377 cm^3
• Polarizability: 19.110611 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.892

Product Information

• Purity: 95%