3,5-dichloro-N-(dichloromethylideneamino)-2-methylaniline

C8H6Cl4N2 — CID 88827459

IUPAC3,5-dichloro-N-(dichloromethylideneamino)-2-methylaniline
SMILESCc1c(Cl)cc(Cl)cc1NN=C(Cl)Cl
InChIInChI=1S/C8H6Cl4N2/c1-4-6(10)2-5(9)3-7(4)13-14-8(11)12/h2-3,13H,1H3
InChIKeyKVMZBWKBRWVNBS-UHFFFAOYSA-N
MW271.96 g/mol
LogP4.46
Rot. Bonds2

About 3,5-dichloro-N-(dichloromethylideneamino)-2-methylaniline

3,5-dichloro-N-(dichloromethylideneamino)-2-methylaniline (PubChem CID 88827459) has the molecular formula C8H6Cl4N2 and a molecular weight of 271.96 g/mol. Its IUPAC name is 3,5-dichloro-N-(dichloromethylideneamino)-2-methylaniline.

Molecular Properties

Compound Name3,5-dichloro-N-(dichloromethylideneamino)-2-methylaniline
PubChem CID88827459
Molecular FormulaC8H6Cl4N2
Molecular Weight271.96 g/mol
Exact Mass269.93
IUPAC Name3,5-dichloro-N-(dichloromethylideneamino)-2-methylaniline
SMILESCc1c(Cl)cc(Cl)cc1NN=C(Cl)Cl
InChIInChI=1S/C8H6Cl4N2/c1-4-6(10)2-5(9)3-7(4)13-14-8(11)12/h2-3,13H,1H3
InChIKeyKVMZBWKBRWVNBS-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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Related Compounds

2,4-dichloro-N-(dichloromethylideneamino)-6-methylaniline
CID 21455827
N-(2,4-dichlorophenyl)ethanehydrazonoyl chloride
CID 72815031
1,5-dichloro-3-[(E)-1-chloroprop-1-enyl]-2-methylbenzene
CID 176684180
N-(but-3-en-2-ylideneamino)-2,4,6-trichloroaniline
CID 529810
2-[(5-chloro-2-methylphenyl)hydrazinylidene]propanoic acid
CID 129244111
1-bromo-3,5-dichloro-2-methylbenzene
CID 10263661
N-(2,4-dichlorophenyl)benzenecarbohydrazonoyl chloride
CID 85434851
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-N'-(3,5-dichloro-2-hydroxyphenyl)oxamide
CID 11293160
3,5-dichloro-N,2-dimethylbenzamide
CID 143932628
1,5-dichloro-3-fluoro-2-methylbenzene;ethane
CID 142574555
1,5-dichloro-3-methoxy-2-methylbenzene
CID 23462582
4-chloro-2-[(E)-N-(2,4-dichloroanilino)-C-ethylcarbonimidoyl]-N-methylaniline
CID 58987717

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(dichloromethylideneamino)-2-methylaniline?
The IUPAC name of 3,5-dichloro-N-(dichloromethylideneamino)-2-methylaniline (CID 88827459) is 3,5-dichloro-N-(dichloromethylideneamino)-2-methylaniline.
What is the SMILES notation for 3,5-dichloro-N-(dichloromethylideneamino)-2-methylaniline?
The canonical SMILES for 3,5-dichloro-N-(dichloromethylideneamino)-2-methylaniline is Cc1c(Cl)cc(Cl)cc1NN=C(Cl)Cl.
What is the InChIKey of 3,5-dichloro-N-(dichloromethylideneamino)-2-methylaniline?
The InChIKey is KVMZBWKBRWVNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl4N2/c1-4-6(10)2-5(9)3-7(4)13-14-8(11)12/h2-3,13H,1H3.
What are the key properties of 3,5-dichloro-N-(dichloromethylideneamino)-2-methylaniline?
3,5-dichloro-N-(dichloromethylideneamino)-2-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 3,5-dichloro-N-(dichloromethylideneamino)-2-methylaniline is sourced from PubChem (CID 88827459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).