1-(4-amino-3-bromo-5-ethylphenyl)-2-(diethylamino)ethanone

C14H21BrN2O — CID 163457005

IUPAC1-(4-amino-3-bromo-5-ethylphenyl)-2-(diethylamino)ethanone
SMILESCCc1cc(C(=O)CN(CC)CC)cc(Br)c1N
InChIInChI=1S/C14H21BrN2O/c1-4-10-7-11(8-12(15)14(10)16)13(18)9-17(5-2)6-3/h7-8H,4-6,9,16H2,1-3H3
InChIKeyBLHYDPYCJCZEFB-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.12
Rot. Bonds6

About 1-(4-amino-3-bromo-5-ethylphenyl)-2-(diethylamino)ethanone

1-(4-amino-3-bromo-5-ethylphenyl)-2-(diethylamino)ethanone (PubChem CID 163457005) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-(4-amino-3-bromo-5-ethylphenyl)-2-(diethylamino)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-bromo-5-ethylphenyl)-2-(diethylamino)ethanone
PubChem CID163457005
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-(4-amino-3-bromo-5-ethylphenyl)-2-(diethylamino)ethanone
SMILESCCc1cc(C(=O)CN(CC)CC)cc(Br)c1N
InChIInChI=1S/C14H21BrN2O/c1-4-10-7-11(8-12(15)14(10)16)13(18)9-17(5-2)6-3/h7-8H,4-6,9,16H2,1-3H3
InChIKeyBLHYDPYCJCZEFB-UHFFFAOYSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-amino-3-bromo-5-ethylphenyl)-2-(diethylamino)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

6-chlorohexyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate
CID 20516477
5-chloropentyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate
CID 20516059
1-(3-amino-4-fluorophenyl)-2-(diethylamino)ethanone
CID 96659527
1-(4-amino-3,5-dibromophenyl)-2-(methylamino)ethanone
CID 21109899
5-chloropentyl 4-amino-3-bromo-5-[[methyl(propyl)amino]methyl]benzoate
CID 54226134
1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone
CID 82256582
3-amino-1,5-bis(4-amino-3,5-dibromophenyl)pentane-1,5-dione
CID 139948603
1-(3-aminophenyl)-2-[butyl(ethyl)amino]ethanone
CID 82071639
sodium 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate
CID 23695093
2-bromo-1-(3-bromo-4-ethylphenyl)ethanone
CID 82124816
4-[2-(3-benzoylphenyl)propanoyloxy]butyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate
CID 20516037
2-[ethyl(propyl)amino]-1-phenylethanone
CID 43795306

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-bromo-5-ethylphenyl)-2-(diethylamino)ethanone?
The IUPAC name of 1-(4-amino-3-bromo-5-ethylphenyl)-2-(diethylamino)ethanone (CID 163457005) is 1-(4-amino-3-bromo-5-ethylphenyl)-2-(diethylamino)ethanone.
What is the SMILES notation for 1-(4-amino-3-bromo-5-ethylphenyl)-2-(diethylamino)ethanone?
The canonical SMILES for 1-(4-amino-3-bromo-5-ethylphenyl)-2-(diethylamino)ethanone is CCc1cc(C(=O)CN(CC)CC)cc(Br)c1N.
What is the InChIKey of 1-(4-amino-3-bromo-5-ethylphenyl)-2-(diethylamino)ethanone?
The InChIKey is BLHYDPYCJCZEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-4-10-7-11(8-12(15)14(10)16)13(18)9-17(5-2)6-3/h7-8H,4-6,9,16H2,1-3H3.
What are the key properties of 1-(4-amino-3-bromo-5-ethylphenyl)-2-(diethylamino)ethanone?
1-(4-amino-3-bromo-5-ethylphenyl)-2-(diethylamino)ethanone has a molecular weight of 313.24 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-bromo-5-ethylphenyl)-2-(diethylamino)ethanone is sourced from PubChem (CID 163457005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).