1-(3-amino-4,5-dimethylphenyl)-2-(methylamino)ethanone

C11H16N2O — CID 117108284

IUPAC1-(3-amino-4,5-dimethylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C)c(C)c(N)c1
InChIInChI=1S/C11H16N2O/c1-7-4-9(11(14)6-13-3)5-10(12)8(7)2/h4-5,13H,6,12H2,1-3H3
InChIKeyWVIJFQMASOGUEO-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.29
Rot. Bonds3

About 1-(3-amino-4,5-dimethylphenyl)-2-(methylamino)ethanone

1-(3-amino-4,5-dimethylphenyl)-2-(methylamino)ethanone (PubChem CID 117108284) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(3-amino-4,5-dimethylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3-amino-4,5-dimethylphenyl)-2-(methylamino)ethanone
PubChem CID117108284
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(3-amino-4,5-dimethylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C)c(C)c(N)c1
InChIInChI=1S/C11H16N2O/c1-7-4-9(11(14)6-13-3)5-10(12)8(7)2/h4-5,13H,6,12H2,1-3H3
InChIKeyWVIJFQMASOGUEO-UHFFFAOYSA-N
XLogP1.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-4,5-dimethylphenyl)ethanone
CID 86160424
1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone
CID 82075088
1-(4-amino-3,5-dibromophenyl)-2-(methylamino)ethanone
CID 21109899
1-(3-amino-4-ethoxyphenyl)-2-(methylamino)ethanone
CID 82258591
1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone
CID 117319719
1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone
CID 84791733
1-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)ethanone
CID 116915325
1-(3-amino-4-methylphenyl)-2-(butylamino)ethanone
CID 98014245
1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117313439
1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone
CID 82482003
3,4-dimethyl-5-[2-(methylamino)acetyl]benzonitrile
CID 117291022
1-[3,4-bis(methylsulfanyl)phenyl]-2-(methylamino)ethanone
CID 117355944

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4,5-dimethylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3-amino-4,5-dimethylphenyl)-2-(methylamino)ethanone (CID 117108284) is 1-(3-amino-4,5-dimethylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3-amino-4,5-dimethylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3-amino-4,5-dimethylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(C)c(C)c(N)c1.
What is the InChIKey of 1-(3-amino-4,5-dimethylphenyl)-2-(methylamino)ethanone?
The InChIKey is WVIJFQMASOGUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7-4-9(11(14)6-13-3)5-10(12)8(7)2/h4-5,13H,6,12H2,1-3H3.
What are the key properties of 1-(3-amino-4,5-dimethylphenyl)-2-(methylamino)ethanone?
1-(3-amino-4,5-dimethylphenyl)-2-(methylamino)ethanone has a molecular weight of 192.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4,5-dimethylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117108284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).