4-chloro-N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride

C10H14Cl2N2 — CID 3049228

IUPAC4-chloro-N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride
SMILESCCN/C(=N\C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C10H13ClN2.ClH/c1-3-13-10(12-2)8-4-6-9(11)7-5-8;/h4-7H,3H2,1-2H3,(H,12,13);1H
InChIKeyLCTUKXMQJUMIGX-UHFFFAOYSA-N
MW233.14 g/mol
LogP2.75
Rot. Bonds2

About 4-chloro-N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride

4-chloro-N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride (PubChem CID 3049228) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride
PubChem CID3049228
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Name4-chloro-N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride
SMILESCCN/C(=N\C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C10H13ClN2.ClH/c1-3-13-10(12-2)8-4-6-9(11)7-5-8;/h4-7H,3H2,1-2H3,(H,12,13);1H
InChIKeyLCTUKXMQJUMIGX-UHFFFAOYSA-N
XLogP2.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride?
The IUPAC name of 4-chloro-N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride (CID 3049228) is 4-chloro-N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-chloro-N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride is CCN/C(=N\C)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-chloro-N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride?
The InChIKey is LCTUKXMQJUMIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2.ClH/c1-3-13-10(12-2)8-4-6-9(11)7-5-8;/h4-7H,3H2,1-2H3,(H,12,13);1H.
What are the key properties of 4-chloro-N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride?
4-chloro-N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride has a molecular weight of 233.14 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N'-methylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 3049228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).