8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone

C16H21NO2 — CID 171947080

IUPAC8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C)ccc1C(=O)C1CC2CCC(C1)N2
InChIInChI=1S/C16H21NO2/c1-10-3-6-14(15(7-10)19-2)16(18)11-8-12-4-5-13(9-11)17-12/h3,6-7,11-13,17H,4-5,8-9H2,1-2H3
InChIKeyDABDGPOSZZDKDG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.72
Rot. Bonds3

About 8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone

8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone (PubChem CID 171947080) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone
PubChem CID171947080
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C)ccc1C(=O)C1CC2CCC(C1)N2
InChIInChI=1S/C16H21NO2/c1-10-3-6-14(15(7-10)19-2)16(18)11-8-12-4-5-13(9-11)17-12/h3,6-7,11-13,17H,4-5,8-9H2,1-2H3
InChIKeyDABDGPOSZZDKDG-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone
CID 171944944
8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone
CID 171944503
(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanone
CID 106790174
8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone
CID 171943170
4-(8-azabicyclo[3.2.1]octane-3-carbonyl)-2-methoxybenzonitrile
CID 171939722
8-azabicyclo[3.2.1]octan-3-yl-(3,5-dimethylphenyl)methanone
CID 171944750
(2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone
CID 65401520
(5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171947320
8-azabicyclo[3.2.1]octan-3-yl-[3-methoxy-4-(trifluoromethyl)phenyl]methanone
CID 171942745
8-azabicyclo[3.2.1]octan-3-yl-(2,4-difluoro-5-methylphenyl)methanone
CID 171947643
(2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone
CID 62795415
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone (CID 171947080) is 8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone is COc1cc(C)ccc1C(=O)C1CC2CCC(C1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone?
The InChIKey is DABDGPOSZZDKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-10-3-6-14(15(7-10)19-2)16(18)11-8-12-4-5-13(9-11)17-12/h3,6-7,11-13,17H,4-5,8-9H2,1-2H3.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone?
8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone has a molecular weight of 259.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 171947080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).