2-bromo-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide

C14H20BrN3O2 — CID 114883323

IUPAC2-bromo-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCN(CCOCC1CC1)c1cccc(Br)c1/C(N)=N/O
InChIInChI=1S/C14H20BrN3O2/c1-18(7-8-20-9-10-5-6-10)12-4-2-3-11(15)13(12)14(16)17-19/h2-4,10,19H,5-9H2,1H3,(H2,16,17)
InChIKeySQUUFAOVNRCNNZ-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.41
Rot. Bonds7

About 2-bromo-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide

2-bromo-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide (PubChem CID 114883323) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-bromo-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
PubChem CID114883323
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name2-bromo-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCN(CCOCC1CC1)c1cccc(Br)c1/C(N)=N/O
InChIInChI=1S/C14H20BrN3O2/c1-18(7-8-20-9-10-5-6-10)12-4-2-3-11(15)13(12)14(16)17-19/h2-4,10,19H,5-9H2,1H3,(H2,16,17)
InChIKeySQUUFAOVNRCNNZ-UHFFFAOYSA-N
XLogP2.41
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
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'}

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Related Compounds

2-bromo-6-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883247
2-bromo-N'-hydroxy-6-[3-methoxypropyl(methyl)amino]benzenecarboximidamide
CID 114883251
2-bromo-4-[2-(cyclopropylmethoxy)ethyl-methylamino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107535992
2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883174
2-bromo-6-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883197
2-[2-ethoxyethyl(methyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 81055001
2-bromo-N'-hydroxy-6-[methyl-[(2-methylphenyl)methyl]amino]benzenecarboximidamide
CID 114883137
2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114883138
2-bromo-N'-hydroxy-6-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide
CID 114883200
2-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013624
2-(1-aminoethyl)-4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylaniline
CID 82968262
2-bromo-N'-hydroxy-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide
CID 114883244

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide (CID 114883323) is 2-bromo-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide is CN(CCOCC1CC1)c1cccc(Br)c1/C(N)=N/O.
What is the InChIKey of 2-bromo-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is SQUUFAOVNRCNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-18(7-8-20-9-10-5-6-10)12-4-2-3-11(15)13(12)14(16)17-19/h2-4,10,19H,5-9H2,1H3,(H2,16,17).
What are the key properties of 2-bromo-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide?
2-bromo-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 342.24 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 2-bromo-6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114883323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).