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

C9H11BrN2O — CID 85472997

IUPAC4-bromo-N'-(2-hydroxyethyl)benzenecarboximidamide
SMILESN/C(=N\CCO)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2O/c10-8-3-1-7(2-4-8)9(11)12-5-6-13/h1-4,13H,5-6H2,(H2,11,12)
InChIKeyDMHVZGGNZMAPPF-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.15
Rot. Bonds3

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

4-bromo-N'-(2-hydroxyethyl)benzenecarboximidamide (PubChem CID 85472997) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 4-bromo-N'-(2-hydroxyethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-N'-(2-hydroxyethyl)benzenecarboximidamide
PubChem CID85472997
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name4-bromo-N'-(2-hydroxyethyl)benzenecarboximidamide
SMILESN/C(=N\CCO)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2O/c10-8-3-1-7(2-4-8)9(11)12-5-6-13/h1-4,13H,5-6H2,(H2,11,12)
InChIKeyDMHVZGGNZMAPPF-UHFFFAOYSA-N
XLogP1.15
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Guanidine, (p-bromobenzyl)-
CID 39439
4-bromo-N'-cyclohexyl-N-hydroxybenzenecarboximidamide
CID 56682704
4-bromo-2-fluoro-N'-(3-hydroxypropyl)benzenecarboximidamide
CID 58371837
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'-methylbenzenecarboximidamide
CID 90439651
4-bromo-N'-butyl-2-fluorobenzenecarboximidamide
CID 123861106
3-bromo-2-fluoro-N'-(2-hydroxyethyl)benzenecarboximidamide
CID 153937486
4-bromo-2-fluoro-N'-(2-hydroxyethylamino)benzenecarboximidamide
CID 154044405
N-(1-amino-2,2,2-trifluoroethylidene)-4-bromo-N'-methylbenzenecarboximidamide
CID 162440261
4-bromo-N'-tert-butylbenzenecarboximidamide
CID 11821165
N-amino-4-bromo-3-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62544003

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(2-hydroxyethyl)benzenecarboximidamide?
The IUPAC name of 4-bromo-N'-(2-hydroxyethyl)benzenecarboximidamide (CID 85472997) is 4-bromo-N'-(2-hydroxyethyl)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-N'-(2-hydroxyethyl)benzenecarboximidamide?
The canonical SMILES for 4-bromo-N'-(2-hydroxyethyl)benzenecarboximidamide is N/C(=N\CCO)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-(2-hydroxyethyl)benzenecarboximidamide?
The InChIKey is DMHVZGGNZMAPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c10-8-3-1-7(2-4-8)9(11)12-5-6-13/h1-4,13H,5-6H2,(H2,11,12).
What are the key properties of 4-bromo-N'-(2-hydroxyethyl)benzenecarboximidamide?
4-bromo-N'-(2-hydroxyethyl)benzenecarboximidamide has a molecular weight of 243.10 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(2-hydroxyethyl)benzenecarboximidamide is sourced from PubChem (CID 85472997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).