8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone

C16H21NO — CID 171944503

IUPAC8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)C2CC3CCC(C2)N3)c1
InChIInChI=1S/C16H21NO/c1-10-3-4-11(2)15(7-10)16(18)12-8-13-5-6-14(9-12)17-13/h3-4,7,12-14,17H,5-6,8-9H2,1-2H3
InChIKeyCTLWINUMDUOWPY-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.02
Rot. Bonds2

About 8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone

8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone (PubChem CID 171944503) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone
PubChem CID171944503
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)C2CC3CCC(C2)N3)c1
InChIInChI=1S/C16H21NO/c1-10-3-4-11(2)15(7-10)16(18)12-8-13-5-6-14(9-12)17-13/h3-4,7,12-14,17H,5-6,8-9H2,1-2H3
InChIKeyCTLWINUMDUOWPY-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-methoxy-4-methylphenyl)methanone
CID 171947080
(3-aminocyclobutyl)-(2,5-dimethylphenyl)methanone
CID 116917656
(2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone
CID 116568434
(4-aminocyclohexyl)-(2,5-dimethylphenyl)methanone
CID 116557468
8-azabicyclo[3.2.1]octan-3-yl-(2,4-difluoro-5-methylphenyl)methanone
CID 171947643
8-azabicyclo[3.2.1]octan-3-yl-(3,5-dimethylphenyl)methanone
CID 171944750
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119456958
4-(9-azabicyclo[3.3.1]nonane-3-carbonyl)-3-methylbenzonitrile
CID 171946293
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 119715914
8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone
CID 171943170
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-hydroxy-N,5-dimethylbenzamide
CID 61233345

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone (CID 171944503) is 8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)C2CC3CCC(C2)N3)c1.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone?
The InChIKey is CTLWINUMDUOWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-10-3-4-11(2)15(7-10)16(18)12-8-13-5-6-14(9-12)17-13/h3-4,7,12-14,17H,5-6,8-9H2,1-2H3.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone?
8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone has a molecular weight of 243.35 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 171944503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).