2-chloro-N'-(2-hydroxyethyl)ethanimidamide;hydrochloride

C4H10Cl2N2O — CID 86626230

IUPAC2-chloro-N'-(2-hydroxyethyl)ethanimidamide;hydrochloride
SMILESCl.N/C(CCl)=N/CCO
InChIInChI=1S/C4H9ClN2O.ClH/c5-3-4(6)7-1-2-8;/h8H,1-3H2,(H2,6,7);1H
InChIKeyRMZJNYRGRNIECT-UHFFFAOYSA-N
MW173.04 g/mol
LogP-0.00
Rot. Bonds3

About 2-chloro-N'-(2-hydroxyethyl)ethanimidamide;hydrochloride

2-chloro-N'-(2-hydroxyethyl)ethanimidamide;hydrochloride (PubChem CID 86626230) has the molecular formula C4H10Cl2N2O and a molecular weight of 173.04 g/mol. Its IUPAC name is 2-chloro-N'-(2-hydroxyethyl)ethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N'-(2-hydroxyethyl)ethanimidamide;hydrochloride
PubChem CID86626230
Molecular FormulaC4H10Cl2N2O
Molecular Weight173.04 g/mol
Exact Mass172.02
IUPAC Name2-chloro-N'-(2-hydroxyethyl)ethanimidamide;hydrochloride
SMILESCl.N/C(CCl)=N/CCO
InChIInChI=1S/C4H9ClN2O.ClH/c5-3-4(6)7-1-2-8;/h8H,1-3H2,(H2,6,7);1H
InChIKeyRMZJNYRGRNIECT-UHFFFAOYSA-N
XLogP-0.00
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.04
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N'-(2-hydroxyethyl)ethanimidamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2-hydroxyethyl)ethanimidamide;hydrochloride?
The IUPAC name of 2-chloro-N'-(2-hydroxyethyl)ethanimidamide;hydrochloride (CID 86626230) is 2-chloro-N'-(2-hydroxyethyl)ethanimidamide;hydrochloride.
What is the SMILES notation for 2-chloro-N'-(2-hydroxyethyl)ethanimidamide;hydrochloride?
The canonical SMILES for 2-chloro-N'-(2-hydroxyethyl)ethanimidamide;hydrochloride is Cl.N/C(CCl)=N/CCO.
What is the InChIKey of 2-chloro-N'-(2-hydroxyethyl)ethanimidamide;hydrochloride?
The InChIKey is RMZJNYRGRNIECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClN2O.ClH/c5-3-4(6)7-1-2-8;/h8H,1-3H2,(H2,6,7);1H.
What are the key properties of 2-chloro-N'-(2-hydroxyethyl)ethanimidamide;hydrochloride?
2-chloro-N'-(2-hydroxyethyl)ethanimidamide;hydrochloride has a molecular weight of 173.04 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2-hydroxyethyl)ethanimidamide;hydrochloride is sourced from PubChem (CID 86626230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).