2-chloro-6-(diethylamino)benzenecarboximidamide

C11H16ClN3 — CID 62502596

IUPAC2-chloro-6-(diethylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(CC)CC
InChIInChI=1S/C11H16ClN3/c1-3-15(4-2)9-7-5-6-8(12)10(9)11(13)14/h5-7H,3-4H2,1-2H3,(H3,13,14)
InChIKeyROUPXMOCCPEAOQ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.47
Rot. Bonds4

About 2-chloro-6-(diethylamino)benzenecarboximidamide

2-chloro-6-(diethylamino)benzenecarboximidamide (PubChem CID 62502596) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-6-(diethylamino)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(diethylamino)benzenecarboximidamide
PubChem CID62502596
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name2-chloro-6-(diethylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(CC)CC
InChIInChI=1S/C11H16ClN3/c1-3-15(4-2)9-7-5-6-8(12)10(9)11(13)14/h5-7H,3-4H2,1-2H3,(H3,13,14)
InChIKeyROUPXMOCCPEAOQ-UHFFFAOYSA-N
XLogP2.47
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.47
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(diethylamino)benzenecarboximidamide?
The IUPAC name of 2-chloro-6-(diethylamino)benzenecarboximidamide (CID 62502596) is 2-chloro-6-(diethylamino)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(diethylamino)benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(diethylamino)benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1N(CC)CC.
What is the InChIKey of 2-chloro-6-(diethylamino)benzenecarboximidamide?
The InChIKey is ROUPXMOCCPEAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-3-15(4-2)9-7-5-6-8(12)10(9)11(13)14/h5-7H,3-4H2,1-2H3,(H3,13,14).
What are the key properties of 2-chloro-6-(diethylamino)benzenecarboximidamide?
2-chloro-6-(diethylamino)benzenecarboximidamide has a molecular weight of 225.72 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(diethylamino)benzenecarboximidamide is sourced from PubChem (CID 62502596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).