3-amino-1-[2-bromo-6-(dimethylamino)phenyl]propan-1-one

C11H15BrN2O — CID 115113463

IUPAC3-amino-1-[2-bromo-6-(dimethylamino)phenyl]propan-1-one
SMILESCN(C)c1cccc(Br)c1C(=O)CCN
InChIInChI=1S/C11H15BrN2O/c1-14(2)9-5-3-4-8(12)11(9)10(15)6-7-13/h3-5H,6-7,13H2,1-2H3
InChIKeyYAGHLODPJFMLQF-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.05
Rot. Bonds4

About 3-amino-1-[2-bromo-6-(dimethylamino)phenyl]propan-1-one

3-amino-1-[2-bromo-6-(dimethylamino)phenyl]propan-1-one (PubChem CID 115113463) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-amino-1-[2-bromo-6-(dimethylamino)phenyl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[2-bromo-6-(dimethylamino)phenyl]propan-1-one
PubChem CID115113463
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-amino-1-[2-bromo-6-(dimethylamino)phenyl]propan-1-one
SMILESCN(C)c1cccc(Br)c1C(=O)CCN
InChIInChI=1S/C11H15BrN2O/c1-14(2)9-5-3-4-8(12)11(9)10(15)6-7-13/h3-5H,6-7,13H2,1-2H3
InChIKeyYAGHLODPJFMLQF-UHFFFAOYSA-N
XLogP2.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-bromo-6-(dimethylamino)phenyl]propan-2-one
CID 117114995
2-amino-1-[2-bromo-6-(dimethylamino)phenyl]ethanol
CID 117115338
2-amino-1-(2-bromo-6-fluorophenyl)ethanone
CID 84695252
2-bromo-6-[methyl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 114888085
1-(2-bromo-6-methoxyphenyl)-3-chloropropan-1-one
CID 118841344
3-amino-1-(3-bromo-2-fluorophenyl)propan-1-one
CID 106647099
2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide
CID 114559597
3-amino-1-(2-bromo-4,6-dimethylphenyl)propan-1-one
CID 84805177
3-bromo-N,N,2-trimethylaniline
CID 107640986
2-bromo-6-[2,2-dimethylpropyl(methyl)amino]benzoic acid
CID 114888148
2-amino-1-(2-bromo-6-chlorophenyl)ethanone
CID 84706659
2-bromo-6-[methyl(prop-2-ynyl)amino]benzoic acid
CID 114888381

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-bromo-6-(dimethylamino)phenyl]propan-1-one?
The IUPAC name of 3-amino-1-[2-bromo-6-(dimethylamino)phenyl]propan-1-one (CID 115113463) is 3-amino-1-[2-bromo-6-(dimethylamino)phenyl]propan-1-one.
What is the SMILES notation for 3-amino-1-[2-bromo-6-(dimethylamino)phenyl]propan-1-one?
The canonical SMILES for 3-amino-1-[2-bromo-6-(dimethylamino)phenyl]propan-1-one is CN(C)c1cccc(Br)c1C(=O)CCN.
What is the InChIKey of 3-amino-1-[2-bromo-6-(dimethylamino)phenyl]propan-1-one?
The InChIKey is YAGHLODPJFMLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-14(2)9-5-3-4-8(12)11(9)10(15)6-7-13/h3-5H,6-7,13H2,1-2H3.
What are the key properties of 3-amino-1-[2-bromo-6-(dimethylamino)phenyl]propan-1-one?
3-amino-1-[2-bromo-6-(dimethylamino)phenyl]propan-1-one has a molecular weight of 271.16 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-bromo-6-(dimethylamino)phenyl]propan-1-one is sourced from PubChem (CID 115113463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).