2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone

C10H12BrNO — CID 84801502

IUPAC2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone
SMILESCc1c(Br)ccc(C(=O)CN)c1C
InChIInChI=1S/C10H12BrNO/c1-6-7(2)9(11)4-3-8(6)10(13)5-12/h3-4H,5,12H2,1-2H3
InChIKeyOFNNKIMGLSLTBW-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.21
Rot. Bonds2

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

2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone (PubChem CID 84801502) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone
PubChem CID84801502
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone
SMILESCc1c(Br)ccc(C(=O)CN)c1C
InChIInChI=1S/C10H12BrNO/c1-6-7(2)9(11)4-3-8(6)10(13)5-12/h3-4H,5,12H2,1-2H3
InChIKeyOFNNKIMGLSLTBW-UHFFFAOYSA-N
XLogP2.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82281637
2-amino-1-(2-bromo-3-hydroxy-4-methylphenyl)ethanone
CID 83843485
4-bromo-2-iodo-3-methylbenzamide
CID 171033351
2-amino-1-(2-bromo-5-hydroxyphenyl)ethanone
CID 83711359
4-(2-aminoacetyl)-2-methylbenzene-1,3-dicarboxylic acid
CID 174858939
2-amino-1-(7-bromo-4-methyl-1,3-benzodioxol-5-yl)ethanone
CID 84713144
2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone
CID 84806364
2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone
CID 84705512
2-amino-1-(3-bromo-2,4-dihydroxy-5-methylphenyl)ethanone
CID 84806317
4-bromo-2-ethyl-3-methylbenzoic acid
CID 23134201
2-amino-1-(2-fluoro-4-methylphenyl)ethanone
CID 59233227
2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
CID 82623539

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone?
The IUPAC name of 2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone (CID 84801502) is 2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone is Cc1c(Br)ccc(C(=O)CN)c1C.
What is the InChIKey of 2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone?
The InChIKey is OFNNKIMGLSLTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-6-7(2)9(11)4-3-8(6)10(13)5-12/h3-4H,5,12H2,1-2H3.
What are the key properties of 2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone?
2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone has a molecular weight of 242.12 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone is sourced from PubChem (CID 84801502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).