2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide

C13H18BrN3O2 — CID 114883174

IUPAC2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCOCCN(c1cccc(Br)c1/C(N)=N/O)C1CC1
InChIInChI=1S/C13H18BrN3O2/c1-19-8-7-17(9-5-6-9)11-4-2-3-10(14)12(11)13(15)16-18/h2-4,9,18H,5-8H2,1H3,(H2,15,16)
InChIKeyNWFRLFLWISZBRT-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.16
Rot. Bonds6

About 2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide

2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 114883174) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID114883174
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCOCCN(c1cccc(Br)c1/C(N)=N/O)C1CC1
InChIInChI=1S/C13H18BrN3O2/c1-19-8-7-17(9-5-6-9)11-4-2-3-10(14)12(11)13(15)16-18/h2-4,9,18H,5-8H2,1H3,(H2,15,16)
InChIKeyNWFRLFLWISZBRT-UHFFFAOYSA-N
XLogP2.16
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-bromo-6-[cyclopropyl(2-methoxyethyl)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

2-bromo-N'-hydroxy-6-[3-methoxypropyl(methyl)amino]benzenecarboximidamide
CID 114883251
2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]benzonitrile
CID 114880735
2-bromo-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114883323
2-chloro-6-[cyclopropyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
CID 55079645
2-bromo-N'-hydroxy-6-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide
CID 114883200
2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 61453395
2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883247
3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]benzenecarbothioamide
CID 82804244
2-bromo-6-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883197
2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide
CID 76935010
4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 65343179
3-(3-bromo-2-carbamoyl-N-cyclopropylanilino)propanoic acid
CID 114880062

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide (CID 114883174) is 2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide is COCCN(c1cccc(Br)c1/C(N)=N/O)C1CC1.
What is the InChIKey of 2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is NWFRLFLWISZBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-19-8-7-17(9-5-6-9)11-4-2-3-10(14)12(11)13(15)16-18/h2-4,9,18H,5-8H2,1H3,(H2,15,16).
What are the key properties of 2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide?
2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 328.21 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114883174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).