4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-2-one

C16H25NO — CID 116910513

IUPAC4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-2-one
SMILESCC(=O)CC(c1c(C)c(C)cc(C)c1C)N(C)C
InChIInChI=1S/C16H25NO/c1-10-8-11(2)14(5)16(13(10)4)15(17(6)7)9-12(3)18/h8,15H,9H2,1-7H3
InChIKeyYKDYHJLXYFEIPD-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.50
Rot. Bonds4

About 4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-2-one

4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-2-one (PubChem CID 116910513) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-2-one
PubChem CID116910513
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-2-one
SMILESCC(=O)CC(c1c(C)c(C)cc(C)c1C)N(C)C
InChIInChI=1S/C16H25NO/c1-10-8-11(2)14(5)16(13(10)4)15(17(6)7)9-12(3)18/h8,15H,9H2,1-7H3
InChIKeyYKDYHJLXYFEIPD-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine
CID 82286430
4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-1-ol
CID 116907780
4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one
CID 116910577
3-(dimethylamino)-3-(2,3,5,6-tetramethylphenyl)propane-1-thiol
CID 116908941
4-(dimethylamino)-4-(4-methylphenyl)butan-2-one
CID 82126356
1-N,1-N,3-trimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine
CID 116905046
5-(methylamino)-5-(2,3,5,6-tetramethylphenyl)pentan-2-one
CID 116956164
4-(dimethylamino)-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116910493
N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide
CID 115176347
2-amino-N',N'-dimethyl-2-(2,3,5,6-tetramethylphenyl)acetohydrazide
CID 116849797
1-hydrazinyl-N,N-dimethyl-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 116914873
4-(dimethylamino)-4-pyridin-2-ylbutan-2-one
CID 82125654

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-2-one?
The IUPAC name of 4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-2-one (CID 116910513) is 4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-2-one.
What is the SMILES notation for 4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-2-one?
The canonical SMILES for 4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-2-one is CC(=O)CC(c1c(C)c(C)cc(C)c1C)N(C)C.
What is the InChIKey of 4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-2-one?
The InChIKey is YKDYHJLXYFEIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-10-8-11(2)14(5)16(13(10)4)15(17(6)7)9-12(3)18/h8,15H,9H2,1-7H3.
What are the key properties of 4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-2-one?
4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-2-one has a molecular weight of 247.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-2-one is sourced from PubChem (CID 116910513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).