[(3-chlorophenyl)-(methylamino)methylidene]-methylazanium

C9H12ClN2+ — CID 7072253

IUPAC[(3-chlorophenyl)-(methylamino)methylidene]-methylazanium
SMILESCN/C(=[NH+]\C)c1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2/c1-11-9(12-2)7-4-3-5-8(10)6-7/h3-6H,1-2H3,(H,11,12)/p+1
InChIKeyVINWVQFEQKMIRU-UHFFFAOYSA-O
MW183.66 g/mol
LogP0.02
Rot. Bonds1

About [(3-chlorophenyl)-(methylamino)methylidene]-methylazanium

[(3-chlorophenyl)-(methylamino)methylidene]-methylazanium (PubChem CID 7072253) has the molecular formula C9H12ClN2+ and a molecular weight of 183.66 g/mol. Its IUPAC name is [(3-chlorophenyl)-(methylamino)methylidene]-methylazanium.

Molecular Properties

Compound Name[(3-chlorophenyl)-(methylamino)methylidene]-methylazanium
PubChem CID7072253
Molecular FormulaC9H12ClN2+
Molecular Weight183.66 g/mol
Exact Mass183.07
IUPAC Name[(3-chlorophenyl)-(methylamino)methylidene]-methylazanium
SMILESCN/C(=[NH+]\C)c1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2/c1-11-9(12-2)7-4-3-5-8(10)6-7/h3-6H,1-2H3,(H,11,12)/p+1
InChIKeyVINWVQFEQKMIRU-UHFFFAOYSA-O
XLogP0.02
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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3-chlorobenzoyl chloride;N,3-dimethylbenzamide
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CID 2768727
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Frequently Asked Questions

What is the IUPAC name of [(3-chlorophenyl)-(methylamino)methylidene]-methylazanium?
The IUPAC name of [(3-chlorophenyl)-(methylamino)methylidene]-methylazanium (CID 7072253) is [(3-chlorophenyl)-(methylamino)methylidene]-methylazanium.
What is the SMILES notation for [(3-chlorophenyl)-(methylamino)methylidene]-methylazanium?
The canonical SMILES for [(3-chlorophenyl)-(methylamino)methylidene]-methylazanium is CN/C(=[NH+]\C)c1cccc(Cl)c1.
What is the InChIKey of [(3-chlorophenyl)-(methylamino)methylidene]-methylazanium?
The InChIKey is VINWVQFEQKMIRU-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11ClN2/c1-11-9(12-2)7-4-3-5-8(10)6-7/h3-6H,1-2H3,(H,11,12)/p+1.
What are the key properties of [(3-chlorophenyl)-(methylamino)methylidene]-methylazanium?
[(3-chlorophenyl)-(methylamino)methylidene]-methylazanium has a molecular weight of 183.66 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chlorophenyl)-(methylamino)methylidene]-methylazanium is sourced from PubChem (CID 7072253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).