1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone

C16H20FNO2 — CID 171940818

IUPAC1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(F)cc1CC(=O)C1CC2CCC(C1)N2
InChIInChI=1S/C16H20FNO2/c1-20-16-5-2-12(17)6-11(16)9-15(19)10-7-13-3-4-14(8-10)18-13/h2,5-6,10,13-14,18H,3-4,7-9H2,1H3
InChIKeyBLFVPGRIELHUAK-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.48
Rot. Bonds4

About 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone

1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone (PubChem CID 171940818) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
PubChem CID171940818
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(F)cc1CC(=O)C1CC2CCC(C1)N2
InChIInChI=1S/C16H20FNO2/c1-20-16-5-2-12(17)6-11(16)9-15(19)10-7-13-3-4-14(8-10)18-13/h2,5-6,10,13-14,18H,3-4,7-9H2,1H3
InChIKeyBLFVPGRIELHUAK-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 171948121
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-(3-fluorophenyl)ethanone
CID 171944857
(5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171947320
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(5-bromo-2-methoxyphenyl)propan-2-one
CID 116588440
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 65391197
2-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanone
CID 116547696
bis[(5-fluoro-2-methoxyphenyl)methyl] (E)-but-2-enedioate
CID 9010730
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
CID 80601651
2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone
CID 65402780
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,5-difluorophenyl)-N-methylacetamide
CID 99850402
1-cyclobutyl-2-(2-methoxyphenyl)ethanone
CID 61079535

Frequently Asked Questions

What is the IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone?
The IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone (CID 171940818) is 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone is COc1ccc(F)cc1CC(=O)C1CC2CCC(C1)N2.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone?
The InChIKey is BLFVPGRIELHUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-20-16-5-2-12(17)6-11(16)9-15(19)10-7-13-3-4-14(8-10)18-13/h2,5-6,10,13-14,18H,3-4,7-9H2,1H3.
What are the key properties of 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone?
1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone has a molecular weight of 277.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 171940818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).