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

C9H12BrN3O — CID 58371973

IUPAC4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide
SMILESN/C(=N\NCCO)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrN3O/c10-8-3-1-7(2-4-8)9(11)13-12-5-6-14/h1-4,12,14H,5-6H2,(H2,11,13)
InChIKeyBWFNUGGBBCHWJD-UHFFFAOYSA-N
MW258.12 g/mol
LogP0.65
Rot. Bonds4

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

4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide (PubChem CID 58371973) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide
PubChem CID58371973
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide
SMILESN/C(=N\NCCO)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrN3O/c10-8-3-1-7(2-4-8)9(11)13-12-5-6-14/h1-4,12,14H,5-6H2,(H2,11,13)
InChIKeyBWFNUGGBBCHWJD-UHFFFAOYSA-N
XLogP0.65
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 50.65
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'-(ethylamino)benzenecarboximidamide
CID 58371982
4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide;hydrochloride
CID 67343564
4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide
CID 67343565

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide?
The IUPAC name of 4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide (CID 58371973) is 4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide?
The canonical SMILES for 4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide is N/C(=N\NCCO)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide?
The InChIKey is BWFNUGGBBCHWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c10-8-3-1-7(2-4-8)9(11)13-12-5-6-14/h1-4,12,14H,5-6H2,(H2,11,13).
What are the key properties of 4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide?
4-bromo-N'-(2-hydroxyethylamino)benzenecarboximidamide has a molecular weight of 258.12 g/mol, XLogP of 0.65, 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 is sourced from PubChem (CID 58371973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).