4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide;hydrochloride

C9H13BrClN3O — CID 87364003

IUPAC4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide;hydrochloride
SMILESCl.N/C(=N\NCCO)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrN3O.ClH/c10-8-3-1-7(2-4-8)9(11)13-12-5-6-14;/h1-4,12,14H,5-6H2,(H2,11,13);1H
InChIKeyROQZOFCJKHFGDA-UHFFFAOYSA-N
MW294.58 g/mol
LogP1.07
Rot. Bonds4

About 4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide;hydrochloride

4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide;hydrochloride (PubChem CID 87364003) has the molecular formula C9H13BrClN3O and a molecular weight of 294.58 g/mol. Its IUPAC name is 4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide;hydrochloride
PubChem CID87364003
Molecular FormulaC9H13BrClN3O
Molecular Weight294.58 g/mol
Exact Mass292.99
IUPAC Name4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide;hydrochloride
SMILESCl.N/C(=N\NCCO)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrN3O.ClH/c10-8-3-1-7(2-4-8)9(11)13-12-5-6-14;/h1-4,12,14H,5-6H2,(H2,11,13);1H
InChIKeyROQZOFCJKHFGDA-UHFFFAOYSA-N
XLogP1.07
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.58
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]ethanol
CID 6903116
4-bromo-2-fluoro-N'-(2-hydroxyethylamino)benzenecarboximidamide
CID 89161203
4-Bromo-2-fluoro-N-(2-hydroxyethyl)benzenecarboximidamide
CID 90403473
4-bromo-2-fluoro-N'-(2-hydroxyethylamino)benzenecarboximidamide
CID 154044405
[Amino-[2-fluoro-4-(methylidene-lambda3-bromanyl)phenyl]methylidene]-(2-hydroxyethylamino)azanium
CID 164128475
2-fluoro-N'-(2-hydroxyethylamino)-4-(methylidene-lambda3-bromanyl)benzenecarboximidamide
CID 164128476
4-bromo-N'-(propan-2-ylamino)benzenecarboximidamide
CID 58371882
4-bromo-N'-(methylamino)benzenecarboximidamide
CID 58371887
4-bromo-N'-(2,2-dimethylpropylamino)benzenecarboximidamide
CID 58371892
4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide
CID 58371973
4-bromo-N'-(ethylamino)benzenecarboximidamide
CID 58371982
4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide;hydrochloride
CID 67343564

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide;hydrochloride?
The IUPAC name of 4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide;hydrochloride (CID 87364003) is 4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide;hydrochloride is Cl.N/C(=N\NCCO)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide;hydrochloride?
The InChIKey is ROQZOFCJKHFGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O.ClH/c10-8-3-1-7(2-4-8)9(11)13-12-5-6-14;/h1-4,12,14H,5-6H2,(H2,11,13);1H.
What are the key properties of 4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide;hydrochloride?
4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide;hydrochloride has a molecular weight of 294.58 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 87364003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).