2-amino-1-(4-bromophenyl)-3-(dimethylamino)propan-1-one

C11H15BrN2O — CID 83693969

IUPAC2-amino-1-(4-bromophenyl)-3-(dimethylamino)propan-1-one
SMILESCN(C)CC(N)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c1-14(2)7-10(13)11(15)8-3-5-9(12)6-4-8/h3-6,10H,7,13H2,1-2H3
InChIKeyHXQBAOTVQPGNGR-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.52
Rot. Bonds4

About 2-amino-1-(4-bromophenyl)-3-(dimethylamino)propan-1-one

2-amino-1-(4-bromophenyl)-3-(dimethylamino)propan-1-one (PubChem CID 83693969) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-amino-1-(4-bromophenyl)-3-(dimethylamino)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-bromophenyl)-3-(dimethylamino)propan-1-one
PubChem CID83693969
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-amino-1-(4-bromophenyl)-3-(dimethylamino)propan-1-one
SMILESCN(C)CC(N)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c1-14(2)7-10(13)11(15)8-3-5-9(12)6-4-8/h3-6,10H,7,13H2,1-2H3
InChIKeyHXQBAOTVQPGNGR-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(5-bromothiophen-2-yl)-3-(dimethylamino)propan-1-one
CID 83694135
4-bromo-N-[2-(dimethylamino)-1-(4-fluorophenyl)ethyl]benzamide
CID 155947722
1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one
CID 63568429
4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide
CID 146272515
4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide
CID 115611577
2-bromo-3-(dimethylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 86276459
1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one
CID 54946475
4-bromo-N-(2-chloropropyl)-N-methylbenzamide
CID 63393521
4-bromo-N-[(dimethylamino)methyl]benzamide
CID 86084577
(2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic acid
CID 94771214
1-(4-bromophenyl)-2-ethylbutane-1,3-dione
CID 22959125
1-(4-bromophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]propan-1-one
CID 55010736

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromophenyl)-3-(dimethylamino)propan-1-one?
The IUPAC name of 2-amino-1-(4-bromophenyl)-3-(dimethylamino)propan-1-one (CID 83693969) is 2-amino-1-(4-bromophenyl)-3-(dimethylamino)propan-1-one.
What is the SMILES notation for 2-amino-1-(4-bromophenyl)-3-(dimethylamino)propan-1-one?
The canonical SMILES for 2-amino-1-(4-bromophenyl)-3-(dimethylamino)propan-1-one is CN(C)CC(N)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-amino-1-(4-bromophenyl)-3-(dimethylamino)propan-1-one?
The InChIKey is HXQBAOTVQPGNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-14(2)7-10(13)11(15)8-3-5-9(12)6-4-8/h3-6,10H,7,13H2,1-2H3.
What are the key properties of 2-amino-1-(4-bromophenyl)-3-(dimethylamino)propan-1-one?
2-amino-1-(4-bromophenyl)-3-(dimethylamino)propan-1-one has a molecular weight of 271.16 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromophenyl)-3-(dimethylamino)propan-1-one is sourced from PubChem (CID 83693969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).