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

C8H8BrNO — CID 14503614

IUPAC1-(2-amino-4-bromophenyl)ethanone
SMILESCC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C8H8BrNO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,10H2,1H3
InChIKeyRCGAXUAOILUCAA-UHFFFAOYSA-N
MW214.06 g/mol
LogP2.23
Rot. Bonds1

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

1-(2-amino-4-bromophenyl)ethanone (PubChem CID 14503614) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 1-(2-amino-4-bromophenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-bromophenyl)ethanone
PubChem CID14503614
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name1-(2-amino-4-bromophenyl)ethanone
SMILESCC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C8H8BrNO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,10H2,1H3
InChIKeyRCGAXUAOILUCAA-UHFFFAOYSA-N
XLogP2.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(2-amino-4-bromophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2'-Aminoacetophenone
CID 11086
3-Bromo-2-methylquinolin-4-OL
CID 886844
6-Bromo-2-methylquinolin-4-ol
CID 2905902
2-Amino-5-bromobenzophenone
CID 99677
1-(3-Amino-4-bromophenyl)ethan-1-one
CID 608294
1-(2-Aminophenyl)ethan-1-one hydrochloride
CID 168362
Quinolin-4-ol, 3-allyl-5-bromo-2-methyl-
CID 621787
6-Bromo-2-methyl-3-propylquinolin-4-ol
CID 826108
2-(4-Bromobenzoyl)-4-methylaniline
CID 4416188
1-(2-Aminophenyl)-3-phenylprop-2-en-1-one
CID 5965183
ST50264022
CID 776243
(2-Amino-5-bromophenyl)(2-fluorophenyl)methanone
CID 73865

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-bromophenyl)ethanone?
The IUPAC name of 1-(2-amino-4-bromophenyl)ethanone (CID 14503614) is 1-(2-amino-4-bromophenyl)ethanone.
What is the SMILES notation for 1-(2-amino-4-bromophenyl)ethanone?
The canonical SMILES for 1-(2-amino-4-bromophenyl)ethanone is CC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 1-(2-amino-4-bromophenyl)ethanone?
The InChIKey is RCGAXUAOILUCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,10H2,1H3.
What are the key properties of 1-(2-amino-4-bromophenyl)ethanone?
1-(2-amino-4-bromophenyl)ethanone has a molecular weight of 214.06 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-bromophenyl)ethanone is sourced from PubChem (CID 14503614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).