2-(4-chlorophenoxy)ethanimidamide

C8H9ClN2O — CID 2735787

IUPAC2-(4-chlorophenoxy)ethanimidamide
SMILES[H]/N=C(\N)COc1ccc(Cl)cc1
InChIInChI=1S/C8H9ClN2O/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H3,10,11)
InChIKeyLSGPRLNRMANBIG-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.65
Rot. Bonds3

About 2-(4-chlorophenoxy)ethanimidamide

2-(4-chlorophenoxy)ethanimidamide (PubChem CID 2735787) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethanimidamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethanimidamide
PubChem CID2735787
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name2-(4-chlorophenoxy)ethanimidamide
SMILES[H]/N=C(\N)COc1ccc(Cl)cc1
InChIInChI=1S/C8H9ClN2O/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H3,10,11)
InChIKeyLSGPRLNRMANBIG-UHFFFAOYSA-N
XLogP1.65
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.65
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'}

Analyze 2-(4-chlorophenoxy)ethanimidamide 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-(4-chlorophenoxy)ethanimidamide?
The IUPAC name of 2-(4-chlorophenoxy)ethanimidamide (CID 2735787) is 2-(4-chlorophenoxy)ethanimidamide.
What is the SMILES notation for 2-(4-chlorophenoxy)ethanimidamide?
The canonical SMILES for 2-(4-chlorophenoxy)ethanimidamide is [H]/N=C(\N)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)ethanimidamide?
The InChIKey is LSGPRLNRMANBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H3,10,11).
What are the key properties of 2-(4-chlorophenoxy)ethanimidamide?
2-(4-chlorophenoxy)ethanimidamide has a molecular weight of 184.63 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethanimidamide is sourced from PubChem (CID 2735787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).