2-amino-1-(4-bromophenyl)ethanone;hydrochloride

C8H9BrClNO — CID 2798216

IUPAC2-amino-1-(4-bromophenyl)ethanone;hydrochloride
SMILESCl.NCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H8BrNO.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4H,5,10H2;1H
InChIKeyROAVTVXTYFSQEA-UHFFFAOYSA-N
MW250.52 g/mol
LogP2.01
Rot. Bonds2

About 2-amino-1-(4-bromophenyl)ethanone;hydrochloride

2-amino-1-(4-bromophenyl)ethanone;hydrochloride (PubChem CID 2798216) has the molecular formula C8H9BrClNO and a molecular weight of 250.52 g/mol. Its IUPAC name is 2-amino-1-(4-bromophenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-bromophenyl)ethanone;hydrochloride
PubChem CID2798216
Molecular FormulaC8H9BrClNO
Molecular Weight250.52 g/mol
Exact Mass248.96
IUPAC Name2-amino-1-(4-bromophenyl)ethanone;hydrochloride
SMILESCl.NCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H8BrNO.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4H,5,10H2;1H
InChIKeyROAVTVXTYFSQEA-UHFFFAOYSA-N
XLogP2.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.52
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethanone, 2-amino-1-phenyl-, hydrochloride (1:1)
CID 2723597
4-Bromobenzamide
CID 69683
Phenacylamine
CID 11952
1-Butanone, 1-(4-bromophenyl)-
CID 78680
3-Bromomethcathinone
CID 10354356
1-(4-Bromophenyl)-2-(tert-butylamino)propan-1-one
CID 44542509
1-Propanone, 1-(4-bromophenyl)-3-(dimethylamino)-, hydrochloride (1:1)
CID 200186
p-Bromopropiophenone
CID 66312
4-Bromomethcathinone
CID 10421832
4-Bromoethcathinone
CID 82100370
2-Amino-1-(4-bromophenyl)ethanone
CID 21639
1-(3-Bromophenyl)-3-(dimethylamino)-1-propanone hydrochloride
CID 2939125

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromophenyl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(4-bromophenyl)ethanone;hydrochloride (CID 2798216) is 2-amino-1-(4-bromophenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-bromophenyl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(4-bromophenyl)ethanone;hydrochloride is Cl.NCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-amino-1-(4-bromophenyl)ethanone;hydrochloride?
The InChIKey is ROAVTVXTYFSQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4H,5,10H2;1H.
What are the key properties of 2-amino-1-(4-bromophenyl)ethanone;hydrochloride?
2-amino-1-(4-bromophenyl)ethanone;hydrochloride has a molecular weight of 250.52 g/mol, XLogP of 2.01, 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-bromophenyl)ethanone;hydrochloride is sourced from PubChem (CID 2798216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).