2-[ethyl(propyl)amino]-1-(2,4,6-trimethylphenyl)ethanone

C16H25NO — CID 43795362

IUPAC2-[ethyl(propyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
SMILESCCCN(CC)CC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H25NO/c1-6-8-17(7-2)11-15(18)16-13(4)9-12(3)10-14(16)5/h9-10H,6-8,11H2,1-5H3
InChIKeyOVWQPWIKMSBMJB-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.53
Rot. Bonds6

About 2-[ethyl(propyl)amino]-1-(2,4,6-trimethylphenyl)ethanone

2-[ethyl(propyl)amino]-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 43795362) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[ethyl(propyl)amino]-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[ethyl(propyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID43795362
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[ethyl(propyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
SMILESCCCN(CC)CC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H25NO/c1-6-8-17(7-2)11-15(18)16-13(4)9-12(3)10-14(16)5/h9-10H,6-8,11H2,1-5H3
InChIKeyOVWQPWIKMSBMJB-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-ethoxyethyl(ethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 63696690
2-[ethyl(2-methylpropyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 43795912
2-[butyl-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]acetamide
CID 62051917
2-(diethylamino)-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 82051364
2-[ethyl(propyl)amino]-1-phenylethanone
CID 43795306
2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone
CID 43219591
N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride
CID 53439298
1-(2,4,6-trimethylphenyl)but-3-yn-1-one
CID 114962026
2-[methyl(2-methylbutyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 43796188
2-[ethyl(piperidin-4-yl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 62031654
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62031117
1-(2,4-dichlorophenyl)-2-[ethyl(propyl)amino]ethanone
CID 43795354

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propyl)amino]-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-[ethyl(propyl)amino]-1-(2,4,6-trimethylphenyl)ethanone (CID 43795362) is 2-[ethyl(propyl)amino]-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[ethyl(propyl)amino]-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-[ethyl(propyl)amino]-1-(2,4,6-trimethylphenyl)ethanone is CCCN(CC)CC(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-[ethyl(propyl)amino]-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is OVWQPWIKMSBMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-8-17(7-2)11-15(18)16-13(4)9-12(3)10-14(16)5/h9-10H,6-8,11H2,1-5H3.
What are the key properties of 2-[ethyl(propyl)amino]-1-(2,4,6-trimethylphenyl)ethanone?
2-[ethyl(propyl)amino]-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 247.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propyl)amino]-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 43795362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).