2-(diethylamino)-1-(2,3,5,6-tetramethylphenyl)ethanone

C16H25NO — CID 82051364

IUPAC2-(diethylamino)-1-(2,3,5,6-tetramethylphenyl)ethanone
SMILESCCN(CC)CC(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H25NO/c1-7-17(8-2)10-15(18)16-13(5)11(3)9-12(4)14(16)6/h9H,7-8,10H2,1-6H3
InChIKeyLIPRVXFGEFKHPY-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.44
Rot. Bonds5

About 2-(diethylamino)-1-(2,3,5,6-tetramethylphenyl)ethanone

2-(diethylamino)-1-(2,3,5,6-tetramethylphenyl)ethanone (PubChem CID 82051364) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(diethylamino)-1-(2,3,5,6-tetramethylphenyl)ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-(2,3,5,6-tetramethylphenyl)ethanone
PubChem CID82051364
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(diethylamino)-1-(2,3,5,6-tetramethylphenyl)ethanone
SMILESCCN(CC)CC(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H25NO/c1-7-17(8-2)10-15(18)16-13(5)11(3)9-12(4)14(16)6/h9H,7-8,10H2,1-6H3
InChIKeyLIPRVXFGEFKHPY-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Pyrovalerone
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alpha-PHP
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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(2,3,5,6-tetramethylphenyl)ethanone?
The IUPAC name of 2-(diethylamino)-1-(2,3,5,6-tetramethylphenyl)ethanone (CID 82051364) is 2-(diethylamino)-1-(2,3,5,6-tetramethylphenyl)ethanone.
What is the SMILES notation for 2-(diethylamino)-1-(2,3,5,6-tetramethylphenyl)ethanone?
The canonical SMILES for 2-(diethylamino)-1-(2,3,5,6-tetramethylphenyl)ethanone is CCN(CC)CC(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of 2-(diethylamino)-1-(2,3,5,6-tetramethylphenyl)ethanone?
The InChIKey is LIPRVXFGEFKHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-7-17(8-2)10-15(18)16-13(5)11(3)9-12(4)14(16)6/h9H,7-8,10H2,1-6H3.
What are the key properties of 2-(diethylamino)-1-(2,3,5,6-tetramethylphenyl)ethanone?
2-(diethylamino)-1-(2,3,5,6-tetramethylphenyl)ethanone has a molecular weight of 247.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(2,3,5,6-tetramethylphenyl)ethanone is sourced from PubChem (CID 82051364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).