1-(6-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanone

C11H14BrNO — CID 84708836

IUPAC1-(6-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(Br)ccc(C)c1C
InChIInChI=1S/C11H14BrNO/c1-7-4-5-9(12)11(8(7)2)10(14)6-13-3/h4-5,13H,6H2,1-3H3
InChIKeyBZJJCADDBCUWIS-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.47
Rot. Bonds3

About 1-(6-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanone

1-(6-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanone (PubChem CID 84708836) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-(6-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(6-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanone
PubChem CID84708836
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-(6-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(Br)ccc(C)c1C
InChIInChI=1S/C11H14BrNO/c1-7-4-5-9(12)11(8(7)2)10(14)6-13-3/h4-5,13H,6H2,1-3H3
InChIKeyBZJJCADDBCUWIS-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone
CID 84709294
1-(3-bromo-2-chloro-6-fluorophenyl)-2-(methylamino)ethanone
CID 117450497
1-(4,5-dimethyl-1H-indol-3-yl)-2-(methylamino)ethanone
CID 96610998
1-(4-bromo-5-hydroxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84805710
1-(3-hydroxy-2-methoxy-6-methylphenyl)-2-(methylamino)ethanone
CID 117298441
2-bromo-1-(6-bromo-2-chloro-3-methylphenyl)ethanone
CID 171032827
2-(6-bromo-2,3-dimethylphenyl)acetic acid
CID 84703622
1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117460893
1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone
CID 84809527
1-(3-fluoro-6-hydroxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84667468
2-(methylamino)-1-(4-methylfuran-3-yl)ethanone
CID 96734131
1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84809522

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(6-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanone (CID 84708836) is 1-(6-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(6-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(6-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1c(Br)ccc(C)c1C.
What is the InChIKey of 1-(6-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanone?
The InChIKey is BZJJCADDBCUWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-7-4-5-9(12)11(8(7)2)10(14)6-13-3/h4-5,13H,6H2,1-3H3.
What are the key properties of 1-(6-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanone?
1-(6-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanone has a molecular weight of 256.14 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2,3-dimethylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 84708836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).