1-[3-bromo-4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone

C13H18BrNO2 — CID 62908123

IUPAC1-[3-bromo-4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone
SMILESCCN(CCOC)c1ccc(C(C)=O)cc1Br
InChIInChI=1S/C13H18BrNO2/c1-4-15(7-8-17-3)13-6-5-11(10(2)16)9-12(13)14/h5-6,9H,4,7-8H2,1-3H3
InChIKeyCIOMACLZLYZPAB-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.12
Rot. Bonds6

About 1-[3-bromo-4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone

1-[3-bromo-4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone (PubChem CID 62908123) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-[3-bromo-4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-bromo-4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone
PubChem CID62908123
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name1-[3-bromo-4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone
SMILESCCN(CCOC)c1ccc(C(C)=O)cc1Br
InChIInChI=1S/C13H18BrNO2/c1-4-15(7-8-17-3)13-6-5-11(10(2)16)9-12(13)14/h5-6,9H,4,7-8H2,1-3H3
InChIKeyCIOMACLZLYZPAB-UHFFFAOYSA-N
XLogP3.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-bromo-4-[ethyl(2-methoxyethyl)amino]phenyl]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

1-[3-bromo-4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanone
CID 62908808
1-[3-bromo-4-[3-methoxypropyl(methyl)amino]phenyl]ethanone
CID 55141074
1-[3-bromo-4-[ethyl(2-methylpropyl)amino]phenyl]ethanone
CID 55132067
1-[4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone
CID 61446564
1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
CID 63697407
4-[bis(2-methoxyethyl)amino]-3-bromobenzenecarboximidamide
CID 82799955
1-[3-bromo-4-[butan-2-yl(ethyl)amino]phenyl]ethanone
CID 62907787
2-bromo-N-ethyl-N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]aniline
CID 55131115
1-[3-bromo-4-(dimethylamino)phenyl]ethanone
CID 62908287
4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide
CID 55190704
1-[2-[ethyl(2-methoxyethyl)amino]-5-nitrophenyl]ethanone
CID 55129442
methyl 3-[4-acetyl-2-fluoro-N-(2-methoxyethyl)anilino]propanoate
CID 115538096

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone?
The IUPAC name of 1-[3-bromo-4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone (CID 62908123) is 1-[3-bromo-4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-bromo-4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[3-bromo-4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone is CCN(CCOC)c1ccc(C(C)=O)cc1Br.
What is the InChIKey of 1-[3-bromo-4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone?
The InChIKey is CIOMACLZLYZPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-4-15(7-8-17-3)13-6-5-11(10(2)16)9-12(13)14/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 1-[3-bromo-4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone?
1-[3-bromo-4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone has a molecular weight of 300.20 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone is sourced from PubChem (CID 62908123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).