4-chloro-N-ethyl-N'-methylbenzenecarboximidamide

C10H13ClN2 — CID 3049229

IUPAC4-chloro-N-ethyl-N'-methylbenzenecarboximidamide
SMILESCCN/C(=N\C)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2/c1-3-13-10(12-2)8-4-6-9(11)7-5-8/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyCQNRWHAESGRECM-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.33
Rot. Bonds2

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

4-chloro-N-ethyl-N'-methylbenzenecarboximidamide (PubChem CID 3049229) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N'-methylbenzenecarboximidamide
PubChem CID3049229
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name4-chloro-N-ethyl-N'-methylbenzenecarboximidamide
SMILESCCN/C(=N\C)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2/c1-3-13-10(12-2)8-4-6-9(11)7-5-8/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyCQNRWHAESGRECM-UHFFFAOYSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.33
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?
The IUPAC name of 4-chloro-N-ethyl-N'-methylbenzenecarboximidamide (CID 3049229) is 4-chloro-N-ethyl-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 4-chloro-N-ethyl-N'-methylbenzenecarboximidamide?
The canonical SMILES for 4-chloro-N-ethyl-N'-methylbenzenecarboximidamide is CCN/C(=N\C)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-ethyl-N'-methylbenzenecarboximidamide?
The InChIKey is CQNRWHAESGRECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-3-13-10(12-2)8-4-6-9(11)7-5-8/h4-7H,3H2,1-2H3,(H,12,13).
What are the key properties of 4-chloro-N-ethyl-N'-methylbenzenecarboximidamide?
4-chloro-N-ethyl-N'-methylbenzenecarboximidamide has a molecular weight of 196.68 g/mol, XLogP of 2.33, 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 is sourced from PubChem (CID 3049229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).