2-(3,5-dichlorophenyl)ethenimine

C8H5Cl2N — CID 175311393

IUPAC2-(3,5-dichlorophenyl)ethenimine
SMILESN=C=Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H5Cl2N/c9-7-3-6(1-2-11)4-8(10)5-7/h1,3-5,11H
InChIKeyMXYHKLIWTPLJJT-UHFFFAOYSA-N
MW186.04 g/mol
LogP3.26
Rot. Bonds1

About 2-(3,5-dichlorophenyl)ethenimine

2-(3,5-dichlorophenyl)ethenimine (PubChem CID 175311393) has the molecular formula C8H5Cl2N and a molecular weight of 186.04 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)ethenimine.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)ethenimine
PubChem CID175311393
Molecular FormulaC8H5Cl2N
Molecular Weight186.04 g/mol
Exact Mass184.98
IUPAC Name2-(3,5-dichlorophenyl)ethenimine
SMILESN=C=Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H5Cl2N/c9-7-3-6(1-2-11)4-8(10)5-7/h1,3-5,11H
InChIKeyMXYHKLIWTPLJJT-UHFFFAOYSA-N
XLogP3.26
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.04
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3,5-Dichlorobenzyl chloride
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2-(3,5-Dichlorophenyl)ethan-1-amine
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3,5-Dichloro-alpha-methylstyrene
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2-(3,5-Dichlorophenyl)ethan-1-amine hydrochloride
CID 17979240
1,3-Dichloro-5-ethylbenzene
CID 19739808
3,5-dichloro-N-hydroxybenzene-1-carbonimidoyl chloride
CID 23548144
3-(3,5-Dichlorophenyl)propan-1-amine
CID 14581317
3,5-Dichlorostyrene
CID 519875
1,3-Dichloro-5-(2-chloroethyl)benzene
CID 53429810

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)ethenimine?
The IUPAC name of 2-(3,5-dichlorophenyl)ethenimine (CID 175311393) is 2-(3,5-dichlorophenyl)ethenimine.
What is the SMILES notation for 2-(3,5-dichlorophenyl)ethenimine?
The canonical SMILES for 2-(3,5-dichlorophenyl)ethenimine is N=C=Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)ethenimine?
The InChIKey is MXYHKLIWTPLJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N/c9-7-3-6(1-2-11)4-8(10)5-7/h1,3-5,11H.
What are the key properties of 2-(3,5-dichlorophenyl)ethenimine?
2-(3,5-dichlorophenyl)ethenimine has a molecular weight of 186.04 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)ethenimine is sourced from PubChem (CID 175311393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).