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

C10H13NO — CID 86160424

IUPAC1-(3-amino-4,5-dimethylphenyl)ethanone
SMILESCC(=O)c1cc(C)c(C)c(N)c1
InChIInChI=1S/C10H13NO/c1-6-4-9(8(3)12)5-10(11)7(6)2/h4-5H,11H2,1-3H3
InChIKeyXLDRGBJLSBDHDI-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.09
Rot. Bonds1

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

1-(3-amino-4,5-dimethylphenyl)ethanone (PubChem CID 86160424) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(3-amino-4,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4,5-dimethylphenyl)ethanone
PubChem CID86160424
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-(3-amino-4,5-dimethylphenyl)ethanone
SMILESCC(=O)c1cc(C)c(C)c(N)c1
InChIInChI=1S/C10H13NO/c1-6-4-9(8(3)12)5-10(11)7(6)2/h4-5H,11H2,1-3H3
InChIKeyXLDRGBJLSBDHDI-UHFFFAOYSA-N
XLogP2.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117108284
1-(3-amino-5-methyl-4-nitrophenyl)ethanone
CID 171023644
1-(4-amino-3-methoxy-5-methylphenyl)ethanone
CID 54447839
1-[4-amino-3-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 121399584
1-(3-amino-4-hydroxy-5-iodophenyl)ethanone
CID 171026761
1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone
CID 82105974
1-(3,5-diacetyl-4-aminophenyl)ethanone
CID 172790356
1-(3-amino-5-ethyl-4-methylphenyl)ethanone;ethane;3-methoxyprop-1-ene
CID 143173095
1-(3-acetyl-5-methylphenyl)ethanone;ethane
CID 142103327
2,3-dimethyl-5-(3,4,5-trimethylphenyl)aniline
CID 89336175
1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone
CID 679502
1-(3-hydroxy-4-iodo-5-methylphenyl)ethanone
CID 171025847

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(3-amino-4,5-dimethylphenyl)ethanone (CID 86160424) is 1-(3-amino-4,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(3-amino-4,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(3-amino-4,5-dimethylphenyl)ethanone is CC(=O)c1cc(C)c(C)c(N)c1.
What is the InChIKey of 1-(3-amino-4,5-dimethylphenyl)ethanone?
The InChIKey is XLDRGBJLSBDHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-6-4-9(8(3)12)5-10(11)7(6)2/h4-5H,11H2,1-3H3.
What are the key properties of 1-(3-amino-4,5-dimethylphenyl)ethanone?
1-(3-amino-4,5-dimethylphenyl)ethanone has a molecular weight of 163.22 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4,5-dimethylphenyl)ethanone is sourced from PubChem (CID 86160424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).