2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone

C15H23NO — CID 43219658

IUPAC2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone
SMILESCCCCN(C)CC(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H23NO/c1-5-6-9-16(4)11-15(17)14-8-7-12(2)10-13(14)3/h7-8,10H,5-6,9,11H2,1-4H3
InChIKeyBWRHQOXLYKNVMH-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.22
Rot. Bonds6

About 2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone

2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone (PubChem CID 43219658) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone
PubChem CID43219658
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone
SMILESCCCCN(C)CC(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H23NO/c1-5-6-9-16(4)11-15(17)14-8-7-12(2)10-13(14)3/h7-8,10H,5-6,9,11H2,1-4H3
InChIKeyBWRHQOXLYKNVMH-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone
CID 107201105
2-[2-(dimethylamino)ethyl-methylamino]-1-(2,4-dimethylphenyl)ethanone
CID 63701271
1-(2,4-dimethylphenyl)-2-[methyl(3-methylsulfanylpropyl)amino]ethanone
CID 114237487
1-(2,4-dimethylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661926
1-(2,4-dimethylphenyl)-2-[pentyl(propan-2-yl)amino]ethanone
CID 63565930
2-[butyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone
CID 43219653
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62031117
1-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79486033
1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63965525
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681807
2-(butylamino)-1-(2,4-dimethylphenyl)ethanone
CID 82101652
2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone
CID 62051512

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone (CID 43219658) is 2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone is CCCCN(C)CC(=O)c1ccc(C)cc1C.
What is the InChIKey of 2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone?
The InChIKey is BWRHQOXLYKNVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-6-9-16(4)11-15(17)14-8-7-12(2)10-13(14)3/h7-8,10H,5-6,9,11H2,1-4H3.
What are the key properties of 2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone?
2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone has a molecular weight of 233.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 43219658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).