[2-(dimethylamino)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

C16H21NO2 — CID 171946489

IUPAC[2-(dimethylamino)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCN(C)c1ccccc1C(=O)C1CC2CCC(C1)O2
InChIInChI=1S/C16H21NO2/c1-17(2)15-6-4-3-5-14(15)16(18)11-9-12-7-8-13(10-11)19-12/h3-6,11-13H,7-10H2,1-2H3
InChIKeyDZCJEOGPLPGKJU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.89
Rot. Bonds3

About [2-(dimethylamino)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

[2-(dimethylamino)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171946489) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is [2-(dimethylamino)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171946489
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name[2-(dimethylamino)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCN(C)c1ccccc1C(=O)C1CC2CCC(C1)O2
InChIInChI=1S/C16H21NO2/c1-17(2)15-6-4-3-5-14(15)16(18)11-9-12-7-8-13(10-11)19-12/h3-6,11-13H,7-10H2,1-2H3
InChIKeyDZCJEOGPLPGKJU-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950940
(2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944243
8-oxabicyclo[3.2.1]octan-3-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 171949290
1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171945816
9H-fluoren-9-ylmethyl 7-[2-(dimethylamino)benzoyl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171946505
8-oxabicyclo[3.2.1]octan-3-yl(quinolin-4-yl)methanone
CID 171941811
(4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950826
(2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944974
(4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947158
(2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947649
2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110463573
(2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947407

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of [2-(dimethylamino)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (CID 171946489) is [2-(dimethylamino)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for [2-(dimethylamino)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for [2-(dimethylamino)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is CN(C)c1ccccc1C(=O)C1CC2CCC(C1)O2.
What is the InChIKey of [2-(dimethylamino)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is DZCJEOGPLPGKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-17(2)15-6-4-3-5-14(15)16(18)11-9-12-7-8-13(10-11)19-12/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of [2-(dimethylamino)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
[2-(dimethylamino)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 259.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171946489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).