1-[3-bromo-2-(dimethylamino)phenyl]ethanone

C10H12BrNO — CID 155738000

IUPAC1-[3-bromo-2-(dimethylamino)phenyl]ethanone
SMILESCC(=O)c1cccc(Br)c1N(C)C
InChIInChI=1S/C10H12BrNO/c1-7(13)8-5-4-6-9(11)10(8)12(2)3/h4-6H,1-3H3
InChIKeyKBKYWZMCSGDRAF-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.72
Rot. Bonds2

About 1-[3-bromo-2-(dimethylamino)phenyl]ethanone

1-[3-bromo-2-(dimethylamino)phenyl]ethanone (PubChem CID 155738000) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 1-[3-bromo-2-(dimethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-bromo-2-(dimethylamino)phenyl]ethanone
PubChem CID155738000
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name1-[3-bromo-2-(dimethylamino)phenyl]ethanone
SMILESCC(=O)c1cccc(Br)c1N(C)C
InChIInChI=1S/C10H12BrNO/c1-7(13)8-5-4-6-9(11)10(8)12(2)3/h4-6H,1-3H3
InChIKeyKBKYWZMCSGDRAF-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)benzene-1,3-dicarboxylic acid
CID 22767033
N-(2,6-dibromophenyl)-N-methylcarbamoyl chloride
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2-bromo-6-fluoro-N,N-dimethylaniline
CID 99770093
1-[2-[2-(2,6-dibromophenoxy)ethoxy]phenyl]ethanone
CID 63565850
1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone
CID 171027893
1-(2-bromo-6-hydroxyphenyl)ethanone
CID 53407096
3-bromo-2-fluoro-N,N-dimethylbenzamide
CID 59375042
1-(2-acetylphenyl)ethanone;methane
CID 158210616
(2-bromo-6-cyanophenyl)-methylcarbamic acid
CID 175738879
2-[1-(2-bromophenyl)ethylidene]propanedioic acid
CID 121220826
2,3-bis(dimethylamino)benzoic acid
CID 19707647
3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide
CID 106543999

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(dimethylamino)phenyl]ethanone?
The IUPAC name of 1-[3-bromo-2-(dimethylamino)phenyl]ethanone (CID 155738000) is 1-[3-bromo-2-(dimethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[3-bromo-2-(dimethylamino)phenyl]ethanone?
The canonical SMILES for 1-[3-bromo-2-(dimethylamino)phenyl]ethanone is CC(=O)c1cccc(Br)c1N(C)C.
What is the InChIKey of 1-[3-bromo-2-(dimethylamino)phenyl]ethanone?
The InChIKey is KBKYWZMCSGDRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-7(13)8-5-4-6-9(11)10(8)12(2)3/h4-6H,1-3H3.
What are the key properties of 1-[3-bromo-2-(dimethylamino)phenyl]ethanone?
1-[3-bromo-2-(dimethylamino)phenyl]ethanone has a molecular weight of 242.12 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-(dimethylamino)phenyl]ethanone is sourced from PubChem (CID 155738000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).