4-bromo-2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide

C13H20BrN3O2 — CID 114904069

IUPAC4-bromo-2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCOCCN(CC)c1cc(Br)ccc1/C(N)=N/O
InChIInChI=1S/C13H20BrN3O2/c1-3-17(7-8-19-4-2)12-9-10(14)5-6-11(12)13(15)16-18/h5-6,9,18H,3-4,7-8H2,1-2H3,(H2,15,16)
InChIKeyRLZUUTIFZDLJSJ-UHFFFAOYSA-N
MW330.23 g/mol
LogP2.41
Rot. Bonds7

About 4-bromo-2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide

4-bromo-2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 114904069) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 4-bromo-2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID114904069
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name4-bromo-2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCOCCN(CC)c1cc(Br)ccc1/C(N)=N/O
InChIInChI=1S/C13H20BrN3O2/c1-3-17(7-8-19-4-2)12-9-10(14)5-6-11(12)13(15)16-18/h5-6,9,18H,3-4,7-8H2,1-2H3,(H2,15,16)
InChIKeyRLZUUTIFZDLJSJ-UHFFFAOYSA-N
XLogP2.41
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide 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

4-bromo-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114904105
2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide
CID 77017432
4-[2-ethoxyethyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77017437
2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938914
[2-[bis(2-ethoxyethyl)amino]-4-bromophenyl]methanol
CID 82951904
4-bromo-N'-hydroxy-2-[2-hydroxyethyl(pentan-3-yl)amino]benzenecarboximidamide
CID 114903984
4-bromo-N'-hydroxy-2-[methyl(3-methylbutyl)amino]benzenecarboximidamide
CID 114903945
4-bromo-2-[butan-2-yl(butyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114903993
2-bromo-4-[2-ethoxyethyl(ethyl)amino]-3-fluorobenzenecarbothioamide
CID 107535123
4-bromo-2-(N,4-dimethylanilino)-N'-hydroxybenzenecarboximidamide
CID 114904027
4-bromo-N'-hydroxy-2-[methyl(2-methylpropyl)amino]benzenecarboximidamide
CID 114903890
4-bromo-N'-hydroxy-2-[3-hydroxypropyl(propan-2-yl)amino]benzenecarboximidamide
CID 114903982

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-bromo-2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide (CID 114904069) is 4-bromo-2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-bromo-2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide is CCOCCN(CC)c1cc(Br)ccc1/C(N)=N/O.
What is the InChIKey of 4-bromo-2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is RLZUUTIFZDLJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-3-17(7-8-19-4-2)12-9-10(14)5-6-11(12)13(15)16-18/h5-6,9,18H,3-4,7-8H2,1-2H3,(H2,15,16).
What are the key properties of 4-bromo-2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide?
4-bromo-2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 330.23 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114904069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).