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

C16H21NO — CID 171944750

IUPAC8-azabicyclo[3.2.1]octan-3-yl-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)C2CC3CCC(C2)N3)c1
InChIInChI=1S/C16H21NO/c1-10-5-11(2)7-12(6-10)16(18)13-8-14-3-4-15(9-13)17-14/h5-7,13-15,17H,3-4,8-9H2,1-2H3
InChIKeyJKYCPVXJJBDMPQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.02
Rot. Bonds2

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

8-azabicyclo[3.2.1]octan-3-yl-(3,5-dimethylphenyl)methanone (PubChem CID 171944750) 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-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl-(3,5-dimethylphenyl)methanone
PubChem CID171944750
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)C2CC3CCC(C2)N3)c1
InChIInChI=1S/C16H21NO/c1-10-5-11(2)7-12(6-10)16(18)13-8-14-3-4-15(9-13)17-14/h5-7,13-15,17H,3-4,8-9H2,1-2H3
InChIKeyJKYCPVXJJBDMPQ-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

cyclobutyl-(3,5-dimethylphenyl)methanone
CID 24724134
8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone
CID 171944503
8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone
CID 171946208
8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone
CID 171941310
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
8-azabicyclo[3.2.1]octan-3-yl-(2,4-difluoro-5-methylphenyl)methanone
CID 171947643
(3-amino-5-methylphenyl)-cyclopentylmethanone
CID 130689709
4-(8-azabicyclo[3.2.1]octane-3-carbonyl)-2-methoxybenzonitrile
CID 171939722
(1S,5R)-3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octane
CID 124522672
cyclopropyl-[3-methyl-5-(trifluoromethyl)phenyl]methanone
CID 168950566
9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone
CID 171943405

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(3,5-dimethylphenyl)methanone?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(3,5-dimethylphenyl)methanone (CID 171944750) is 8-azabicyclo[3.2.1]octan-3-yl-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl-(3,5-dimethylphenyl)methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)C2CC3CCC(C2)N3)c1.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl-(3,5-dimethylphenyl)methanone?
The InChIKey is JKYCPVXJJBDMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-10-5-11(2)7-12(6-10)16(18)13-8-14-3-4-15(9-13)17-14/h5-7,13-15,17H,3-4,8-9H2,1-2H3.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl-(3,5-dimethylphenyl)methanone?
8-azabicyclo[3.2.1]octan-3-yl-(3,5-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-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 171944750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).