2,4-dichloro-N-(dichloromethylideneamino)-6-methylaniline

C8H6Cl4N2 — CID 21455827

IUPAC2,4-dichloro-N-(dichloromethylideneamino)-6-methylaniline
SMILESCc1cc(Cl)cc(Cl)c1NN=C(Cl)Cl
InChIInChI=1S/C8H6Cl4N2/c1-4-2-5(9)3-6(10)7(4)13-14-8(11)12/h2-3,13H,1H3
InChIKeyAUSUPGAZOSXPRA-UHFFFAOYSA-N
MW271.96 g/mol
LogP4.46
Rot. Bonds2

About 2,4-dichloro-N-(dichloromethylideneamino)-6-methylaniline

2,4-dichloro-N-(dichloromethylideneamino)-6-methylaniline (PubChem CID 21455827) has the molecular formula C8H6Cl4N2 and a molecular weight of 271.96 g/mol. Its IUPAC name is 2,4-dichloro-N-(dichloromethylideneamino)-6-methylaniline.

Molecular Properties

Compound Name2,4-dichloro-N-(dichloromethylideneamino)-6-methylaniline
PubChem CID21455827
Molecular FormulaC8H6Cl4N2
Molecular Weight271.96 g/mol
Exact Mass269.93
IUPAC Name2,4-dichloro-N-(dichloromethylideneamino)-6-methylaniline
SMILESCc1cc(Cl)cc(Cl)c1NN=C(Cl)Cl
InChIInChI=1S/C8H6Cl4N2/c1-4-2-5(9)3-6(10)7(4)13-14-8(11)12/h2-3,13H,1H3
InChIKeyAUSUPGAZOSXPRA-UHFFFAOYSA-N
XLogP4.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.96
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(dichloromethylideneamino)-6-methylaniline?
The IUPAC name of 2,4-dichloro-N-(dichloromethylideneamino)-6-methylaniline (CID 21455827) is 2,4-dichloro-N-(dichloromethylideneamino)-6-methylaniline.
What is the SMILES notation for 2,4-dichloro-N-(dichloromethylideneamino)-6-methylaniline?
The canonical SMILES for 2,4-dichloro-N-(dichloromethylideneamino)-6-methylaniline is Cc1cc(Cl)cc(Cl)c1NN=C(Cl)Cl.
What is the InChIKey of 2,4-dichloro-N-(dichloromethylideneamino)-6-methylaniline?
The InChIKey is AUSUPGAZOSXPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl4N2/c1-4-2-5(9)3-6(10)7(4)13-14-8(11)12/h2-3,13H,1H3.
What are the key properties of 2,4-dichloro-N-(dichloromethylideneamino)-6-methylaniline?
2,4-dichloro-N-(dichloromethylideneamino)-6-methylaniline has a molecular weight of 271.96 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(dichloromethylideneamino)-6-methylaniline is sourced from PubChem (CID 21455827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).