2,4,6-trichloro-N-(2-methylprop-2-enylideneamino)aniline

C10H9Cl3N2 — CID 529809

IUPAC2,4,6-trichloro-N-(2-methylprop-2-enylideneamino)aniline
SMILESC=C(C)C=NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl3N2/c1-6(2)5-14-15-10-8(12)3-7(11)4-9(10)13/h3-5,15H,1H2,2H3
InChIKeyLJMFUJJVPIXNIR-UHFFFAOYSA-N
MW263.56 g/mol
LogP4.62
Rot. Bonds3

About 2,4,6-trichloro-N-(2-methylprop-2-enylideneamino)aniline

2,4,6-trichloro-N-(2-methylprop-2-enylideneamino)aniline (PubChem CID 529809) has the molecular formula C10H9Cl3N2 and a molecular weight of 263.56 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(2-methylprop-2-enylideneamino)aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-(2-methylprop-2-enylideneamino)aniline
PubChem CID529809
Molecular FormulaC10H9Cl3N2
Molecular Weight263.56 g/mol
Exact Mass261.98
IUPAC Name2,4,6-trichloro-N-(2-methylprop-2-enylideneamino)aniline
SMILESC=C(C)C=NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl3N2/c1-6(2)5-14-15-10-8(12)3-7(11)4-9(10)13/h3-5,15H,1H2,2H3
InChIKeyLJMFUJJVPIXNIR-UHFFFAOYSA-N
XLogP4.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.56
LogP ≤ 54.62
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 2,4,6-trichloro-N-(2-methylprop-2-enylideneamino)aniline?
The IUPAC name of 2,4,6-trichloro-N-(2-methylprop-2-enylideneamino)aniline (CID 529809) is 2,4,6-trichloro-N-(2-methylprop-2-enylideneamino)aniline.
What is the SMILES notation for 2,4,6-trichloro-N-(2-methylprop-2-enylideneamino)aniline?
The canonical SMILES for 2,4,6-trichloro-N-(2-methylprop-2-enylideneamino)aniline is C=C(C)C=NNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-(2-methylprop-2-enylideneamino)aniline?
The InChIKey is LJMFUJJVPIXNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3N2/c1-6(2)5-14-15-10-8(12)3-7(11)4-9(10)13/h3-5,15H,1H2,2H3.
What are the key properties of 2,4,6-trichloro-N-(2-methylprop-2-enylideneamino)aniline?
2,4,6-trichloro-N-(2-methylprop-2-enylideneamino)aniline has a molecular weight of 263.56 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(2-methylprop-2-enylideneamino)aniline is sourced from PubChem (CID 529809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).