1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone

C16H25NO — CID 43796904

IUPAC1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone
SMILESCCCC(C)N(C)CC(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H25NO/c1-6-7-14(4)17(5)11-16(18)15-10-12(2)8-9-13(15)3/h8-10,14H,6-7,11H2,1-5H3
InChIKeyHYAGFVYIYLLWCW-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.61
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone

1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone (PubChem CID 43796904) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone
PubChem CID43796904
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone
SMILESCCCC(C)N(C)CC(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H25NO/c1-6-7-14(4)17(5)11-16(18)15-10-12(2)8-9-13(15)3/h8-10,14H,6-7,11H2,1-5H3
InChIKeyHYAGFVYIYLLWCW-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]-methylamino]acetic acid
CID 82476152
1-(2,5-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63964640
1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone
CID 79476690
1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone
CID 63565743
2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone
CID 62051512
2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone
CID 43795464
1-(2,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79488668
3-[[2-(2,5-dimethylphenyl)-2-oxoethyl]-ethylamino]-2-methylpropanenitrile
CID 62036198
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
2-[methyl(pentan-2-yl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 43433568
2-(dimethylamino)-1-(2,5-dimethylphenyl)propan-1-one
CID 43794767
2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43219755

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone (CID 43796904) is 1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone is CCCC(C)N(C)CC(=O)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone?
The InChIKey is HYAGFVYIYLLWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-7-14(4)17(5)11-16(18)15-10-12(2)8-9-13(15)3/h8-10,14H,6-7,11H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone?
1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone has a molecular weight of 247.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone is sourced from PubChem (CID 43796904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).