2,2-dichloro-N-(2,6-dimethylphenyl)ethenimine

C10H9Cl2N — CID 134893201

IUPAC2,2-dichloro-N-(2,6-dimethylphenyl)ethenimine
SMILESCc1cccc(C)c1N=C=C(Cl)Cl
InChIInChI=1S/C10H9Cl2N/c1-7-4-3-5-8(2)10(7)13-6-9(11)12/h3-5H,1-2H3
InChIKeyLJXSKBZZSHQWDE-UHFFFAOYSA-N
MW214.09 g/mol
LogP3.92
Rot. Bonds1

About 2,2-dichloro-N-(2,6-dimethylphenyl)ethenimine

2,2-dichloro-N-(2,6-dimethylphenyl)ethenimine (PubChem CID 134893201) has the molecular formula C10H9Cl2N and a molecular weight of 214.09 g/mol. Its IUPAC name is 2,2-dichloro-N-(2,6-dimethylphenyl)ethenimine.

Molecular Properties

Compound Name2,2-dichloro-N-(2,6-dimethylphenyl)ethenimine
PubChem CID134893201
Molecular FormulaC10H9Cl2N
Molecular Weight214.09 g/mol
Exact Mass213.01
IUPAC Name2,2-dichloro-N-(2,6-dimethylphenyl)ethenimine
SMILESCc1cccc(C)c1N=C=C(Cl)Cl
InChIInChI=1S/C10H9Cl2N/c1-7-4-3-5-8(2)10(7)13-6-9(11)12/h3-5H,1-2H3
InChIKeyLJXSKBZZSHQWDE-UHFFFAOYSA-N
XLogP3.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(2,6-dimethylphenyl)ethenimine?
The IUPAC name of 2,2-dichloro-N-(2,6-dimethylphenyl)ethenimine (CID 134893201) is 2,2-dichloro-N-(2,6-dimethylphenyl)ethenimine.
What is the SMILES notation for 2,2-dichloro-N-(2,6-dimethylphenyl)ethenimine?
The canonical SMILES for 2,2-dichloro-N-(2,6-dimethylphenyl)ethenimine is Cc1cccc(C)c1N=C=C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(2,6-dimethylphenyl)ethenimine?
The InChIKey is LJXSKBZZSHQWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N/c1-7-4-3-5-8(2)10(7)13-6-9(11)12/h3-5H,1-2H3.
What are the key properties of 2,2-dichloro-N-(2,6-dimethylphenyl)ethenimine?
2,2-dichloro-N-(2,6-dimethylphenyl)ethenimine has a molecular weight of 214.09 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2,6-dimethylphenyl)ethenimine is sourced from PubChem (CID 134893201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).