3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol

C15H20FNO2 — CID 171961618

IUPAC3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCOc1ccc(C2(O)CC3CCCC(C2)N3)cc1F
InChIInChI=1S/C15H20FNO2/c1-19-14-6-5-10(7-13(14)16)15(18)8-11-3-2-4-12(9-15)17-11/h5-7,11-12,17-18H,2-4,8-9H2,1H3
InChIKeyDFDSGTWBJOFBNH-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.33
Rot. Bonds2

About 3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol

3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171961618) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171961618
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCOc1ccc(C2(O)CC3CCCC(C2)N3)cc1F
InChIInChI=1S/C15H20FNO2/c1-19-14-6-5-10(7-13(14)16)15(18)8-11-3-2-4-12(9-15)17-11/h5-7,11-12,17-18H,2-4,8-9H2,1H3
InChIKeyDFDSGTWBJOFBNH-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol
CID 80561285
3-(3-fluoro-4-methoxyphenyl)-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171961617
3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961519
1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol
CID 106874129
3-(4-fluoro-3-methoxyphenyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171961451
3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961446
3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955385
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963021
3-(1-methylindol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171956292
2-(3-fluoro-4-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389721
3-(1-benzofuran-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171960029
1-(3-fluoro-4-methoxyphenyl)-2-propylcyclopropan-1-ol
CID 79332815

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171961618) is 3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol is COc1ccc(C2(O)CC3CCCC(C2)N3)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is DFDSGTWBJOFBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-19-14-6-5-10(7-13(14)16)15(18)8-11-3-2-4-12(9-15)17-11/h5-7,11-12,17-18H,2-4,8-9H2,1H3.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 265.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171961618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).