2-chloro-6-methylbenzenecarboximidamide

C8H9ClN2 — CID 3360024

IUPAC2-chloro-6-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(C)cccc1Cl
InChIInChI=1S/C8H9ClN2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H3,10,11)
InChIKeySJMMLRWNCYFBIC-UHFFFAOYSA-N
MW168.63 g/mol
LogP1.93
Rot. Bonds1

About 2-chloro-6-methylbenzenecarboximidamide

2-chloro-6-methylbenzenecarboximidamide (PubChem CID 3360024) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 2-chloro-6-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-methylbenzenecarboximidamide
PubChem CID3360024
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name2-chloro-6-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(C)cccc1Cl
InChIInChI=1S/C8H9ClN2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H3,10,11)
InChIKeySJMMLRWNCYFBIC-UHFFFAOYSA-N
XLogP1.93
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 51.93
H-Bond Donors ≤ 52
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 2-chloro-6-methylbenzenecarboximidamide?
The IUPAC name of 2-chloro-6-methylbenzenecarboximidamide (CID 3360024) is 2-chloro-6-methylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-methylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-6-methylbenzenecarboximidamide is [H]/N=C(\N)c1c(C)cccc1Cl.
What is the InChIKey of 2-chloro-6-methylbenzenecarboximidamide?
The InChIKey is SJMMLRWNCYFBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H3,10,11).
What are the key properties of 2-chloro-6-methylbenzenecarboximidamide?
2-chloro-6-methylbenzenecarboximidamide has a molecular weight of 168.63 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylbenzenecarboximidamide is sourced from PubChem (CID 3360024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).