2-(dimethylamino)-1-(2,5-dimethylphenyl)-2-ethylbutan-1-one

C16H25NO — CID 79064819

IUPAC2-(dimethylamino)-1-(2,5-dimethylphenyl)-2-ethylbutan-1-one
SMILESCCC(CC)(C(=O)c1cc(C)ccc1C)N(C)C
InChIInChI=1S/C16H25NO/c1-7-16(8-2,17(5)6)15(18)14-11-12(3)9-10-13(14)4/h9-11H,7-8H2,1-6H3
InChIKeyNPDXOWMPQPNRIT-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.61
Rot. Bonds5

About 2-(dimethylamino)-1-(2,5-dimethylphenyl)-2-ethylbutan-1-one

2-(dimethylamino)-1-(2,5-dimethylphenyl)-2-ethylbutan-1-one (PubChem CID 79064819) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2,5-dimethylphenyl)-2-ethylbutan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2,5-dimethylphenyl)-2-ethylbutan-1-one
PubChem CID79064819
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(dimethylamino)-1-(2,5-dimethylphenyl)-2-ethylbutan-1-one
SMILESCCC(CC)(C(=O)c1cc(C)ccc1C)N(C)C
InChIInChI=1S/C16H25NO/c1-7-16(8-2,17(5)6)15(18)14-11-12(3)9-10-13(14)4/h9-11H,7-8H2,1-6H3
InChIKeyNPDXOWMPQPNRIT-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-(2,5-dimethylphenyl)-2-methylpropan-1-one
CID 121000550
1-(2,5-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63964640
2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one
CID 79052290
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
1-(2,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566560
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
3-(dimethylamino)-3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one
CID 79061216
2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid
CID 18071913
2-[(2,5-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79792717
2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]-methylamino]acetic acid
CID 82476152
2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one
CID 43794767
3-(dimethylamino)-1-(2,5-dimethylphenyl)prop-2-en-1-one
CID 57362091

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2,5-dimethylphenyl)-2-ethylbutan-1-one?
The IUPAC name of 2-(dimethylamino)-1-(2,5-dimethylphenyl)-2-ethylbutan-1-one (CID 79064819) is 2-(dimethylamino)-1-(2,5-dimethylphenyl)-2-ethylbutan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-(2,5-dimethylphenyl)-2-ethylbutan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-(2,5-dimethylphenyl)-2-ethylbutan-1-one is CCC(CC)(C(=O)c1cc(C)ccc1C)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(2,5-dimethylphenyl)-2-ethylbutan-1-one?
The InChIKey is NPDXOWMPQPNRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-7-16(8-2,17(5)6)15(18)14-11-12(3)9-10-13(14)4/h9-11H,7-8H2,1-6H3.
What are the key properties of 2-(dimethylamino)-1-(2,5-dimethylphenyl)-2-ethylbutan-1-one?
2-(dimethylamino)-1-(2,5-dimethylphenyl)-2-ethylbutan-1-one has a molecular weight of 247.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2,5-dimethylphenyl)-2-ethylbutan-1-one is sourced from PubChem (CID 79064819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).