2,4,6-trichloro-N-(propan-2-ylideneamino)aniline

C9H9Cl3N2 — CID 529812

IUPAC2,4,6-trichloro-N-(propan-2-ylideneamino)aniline
SMILESCC(C)=NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl3N2/c1-5(2)13-14-9-7(11)3-6(10)4-8(9)12/h3-4,14H,1-2H3
InChIKeyFRTZSVBLMBYLGP-UHFFFAOYSA-N
MW251.54 g/mol
LogP4.45
Rot. Bonds2

About 2,4,6-trichloro-N-(propan-2-ylideneamino)aniline

2,4,6-trichloro-N-(propan-2-ylideneamino)aniline (PubChem CID 529812) has the molecular formula C9H9Cl3N2 and a molecular weight of 251.54 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(propan-2-ylideneamino)aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-(propan-2-ylideneamino)aniline
PubChem CID529812
Molecular FormulaC9H9Cl3N2
Molecular Weight251.54 g/mol
Exact Mass249.98
IUPAC Name2,4,6-trichloro-N-(propan-2-ylideneamino)aniline
SMILESCC(C)=NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl3N2/c1-5(2)13-14-9-7(11)3-6(10)4-8(9)12/h3-4,14H,1-2H3
InChIKeyFRTZSVBLMBYLGP-UHFFFAOYSA-N
XLogP4.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.54
LogP ≤ 54.45
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-(propan-2-ylideneamino)aniline?
The IUPAC name of 2,4,6-trichloro-N-(propan-2-ylideneamino)aniline (CID 529812) is 2,4,6-trichloro-N-(propan-2-ylideneamino)aniline.
What is the SMILES notation for 2,4,6-trichloro-N-(propan-2-ylideneamino)aniline?
The canonical SMILES for 2,4,6-trichloro-N-(propan-2-ylideneamino)aniline is CC(C)=NNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-(propan-2-ylideneamino)aniline?
The InChIKey is FRTZSVBLMBYLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl3N2/c1-5(2)13-14-9-7(11)3-6(10)4-8(9)12/h3-4,14H,1-2H3.
What are the key properties of 2,4,6-trichloro-N-(propan-2-ylideneamino)aniline?
2,4,6-trichloro-N-(propan-2-ylideneamino)aniline has a molecular weight of 251.54 g/mol, XLogP of 4.45, 2 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-(propan-2-ylideneamino)aniline is sourced from PubChem (CID 529812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).