[chloro-(4-methylphenyl)methylidene]-dimethylazanium

C10H13ClN+ — CID 16701530

IUPAC[chloro-(4-methylphenyl)methylidene]-dimethylazanium
SMILESCc1ccc(C(Cl)=[N+](C)C)cc1
InChIInChI=1S/C10H13ClN/c1-8-4-6-9(7-5-8)10(11)12(2)3/h4-7H,1-3H3/q+1
InChIKeySMNBCTUXVNPULK-UHFFFAOYSA-N
MW182.67 g/mol
LogP2.25
Rot. Bonds1

About [chloro-(4-methylphenyl)methylidene]-dimethylazanium

[chloro-(4-methylphenyl)methylidene]-dimethylazanium (PubChem CID 16701530) has the molecular formula C10H13ClN+ and a molecular weight of 182.67 g/mol. Its IUPAC name is [chloro-(4-methylphenyl)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[chloro-(4-methylphenyl)methylidene]-dimethylazanium
PubChem CID16701530
Molecular FormulaC10H13ClN+
Molecular Weight182.67 g/mol
Exact Mass182.07
IUPAC Name[chloro-(4-methylphenyl)methylidene]-dimethylazanium
SMILESCc1ccc(C(Cl)=[N+](C)C)cc1
InChIInChI=1S/C10H13ClN/c1-8-4-6-9(7-5-8)10(11)12(2)3/h4-7H,1-3H3/q+1
InChIKeySMNBCTUXVNPULK-UHFFFAOYSA-N
XLogP2.25
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.67
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [chloro-(4-methylphenyl)methylidene]-dimethylazanium?
The IUPAC name of [chloro-(4-methylphenyl)methylidene]-dimethylazanium (CID 16701530) is [chloro-(4-methylphenyl)methylidene]-dimethylazanium.
What is the SMILES notation for [chloro-(4-methylphenyl)methylidene]-dimethylazanium?
The canonical SMILES for [chloro-(4-methylphenyl)methylidene]-dimethylazanium is Cc1ccc(C(Cl)=[N+](C)C)cc1.
What is the InChIKey of [chloro-(4-methylphenyl)methylidene]-dimethylazanium?
The InChIKey is SMNBCTUXVNPULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN/c1-8-4-6-9(7-5-8)10(11)12(2)3/h4-7H,1-3H3/q+1.
What are the key properties of [chloro-(4-methylphenyl)methylidene]-dimethylazanium?
[chloro-(4-methylphenyl)methylidene]-dimethylazanium has a molecular weight of 182.67 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro-(4-methylphenyl)methylidene]-dimethylazanium is sourced from PubChem (CID 16701530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).