1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone

C11H15NO2 — CID 82605179

IUPAC1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C)c(C)cc1O
InChIInChI=1S/C11H15NO2/c1-7-4-9(11(14)6-12-3)10(13)5-8(7)2/h4-5,12-13H,6H2,1-3H3
InChIKeyOQENHDJPXPTJMY-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.41
Rot. Bonds3

About 1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone

1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone (PubChem CID 82605179) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone
PubChem CID82605179
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C)c(C)cc1O
InChIInChI=1S/C11H15NO2/c1-7-4-9(11(14)6-12-3)10(13)5-8(7)2/h4-5,12-13H,6H2,1-3H3
InChIKeyOQENHDJPXPTJMY-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone
CID 82600157
2-bromo-1-(2-hydroxy-4,5-dimethylphenyl)ethanone
CID 53441682
1-(2,5-dihydroxyphenyl)-2-(methylamino)ethanone
CID 117278643
1-(4-bromo-5-hydroxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84805710
1-(4,5-dihydroxy-2,3-dimethylphenyl)-2-(methylamino)ethanone
CID 117298446
1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone
CID 82601575
1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
CID 140991954
1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84696388
1-(2-hydroxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone
CID 117359935
2-(methylamino)-1-(4-methylfuran-3-yl)ethanone
CID 96734131
1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone
CID 82493915
1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84809522

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone (CID 82605179) is 1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(C)c(C)cc1O.
What is the InChIKey of 1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone?
The InChIKey is OQENHDJPXPTJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-4-9(11(14)6-12-3)10(13)5-8(7)2/h4-5,12-13H,6H2,1-3H3.
What are the key properties of 1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone?
1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone has a molecular weight of 193.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 82605179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).