7-(dipropylamino)-4-fluoro-5,6,7,8-tetrahydronaphthalen-1-ol

• ChemBase ID: 130074
• Molecular Formular: C16H24FNO
• Molecular Mass: 265.3662632
• Monoisotopic Mass: 265.18419261
• SMILES: C1Cc2c(c(O)ccc2F)CC1N(CCC)CCC
• Canonical SMILES: CCCN(C1CCc2c(C1)c(O)ccc2F)CCC
• InChI: InChI=1S/C16H24FNO/c1-3-9-18(10-4-2)12-5-6-13-14(11-12)16(19)8-7-15(13)17/h7-8,12,19H,3-6,9-11H2,1-2H3
• InChIKey: FNKBVTBXFLSTPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(dipropylamino)-4-fluoro-5,6,7,8-tetrahydronaphthalen-1-ol
• IUPAC Traditional name: C16H24fno
• Synonyms: UH-301

Database IDs

• CAS Number: 127126-22-1
• PubChem SID: 162224359
• PubChem CID: 5122
• IUPHAR ligand ID: 61
• Wikipedia Title: UH-301

CALCULATED PROPERTIES

• Acid pKa: 9.230849
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.88483137
• LogD (pH = 7.4): 1.7850226
• Log P: 3.3838081
• Molar Refractivity: 77.679 cm^3
• Polarizability: 29.639385 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true