2,4,6-trichloro-3,5-dimethylaniline

C8H8Cl3N — CID 130155317

IUPAC2,4,6-trichloro-3,5-dimethylaniline
SMILESCc1c(Cl)c(C)c(Cl)c(N)c1Cl
InChIInChI=1S/C8H8Cl3N/c1-3-5(9)4(2)7(11)8(12)6(3)10/h12H2,1-2H3
InChIKeyKUKJVURNNFWTBP-UHFFFAOYSA-N
MW224.52 g/mol
LogP3.85
Rot. Bonds

About 2,4,6-trichloro-3,5-dimethylaniline

2,4,6-trichloro-3,5-dimethylaniline (PubChem CID 130155317) has the molecular formula C8H8Cl3N and a molecular weight of 224.52 g/mol. Its IUPAC name is 2,4,6-trichloro-3,5-dimethylaniline.

Molecular Properties

Compound Name2,4,6-trichloro-3,5-dimethylaniline
PubChem CID130155317
Molecular FormulaC8H8Cl3N
Molecular Weight224.52 g/mol
Exact Mass222.97
IUPAC Name2,4,6-trichloro-3,5-dimethylaniline
SMILESCc1c(Cl)c(C)c(Cl)c(N)c1Cl
InChIInChI=1S/C8H8Cl3N/c1-3-5(9)4(2)7(11)8(12)6(3)10/h12H2,1-2H3
InChIKeyKUKJVURNNFWTBP-UHFFFAOYSA-N
XLogP3.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-3,5-dimethylaniline?
The IUPAC name of 2,4,6-trichloro-3,5-dimethylaniline (CID 130155317) is 2,4,6-trichloro-3,5-dimethylaniline.
What is the SMILES notation for 2,4,6-trichloro-3,5-dimethylaniline?
The canonical SMILES for 2,4,6-trichloro-3,5-dimethylaniline is Cc1c(Cl)c(C)c(Cl)c(N)c1Cl.
What is the InChIKey of 2,4,6-trichloro-3,5-dimethylaniline?
The InChIKey is KUKJVURNNFWTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3N/c1-3-5(9)4(2)7(11)8(12)6(3)10/h12H2,1-2H3.
What are the key properties of 2,4,6-trichloro-3,5-dimethylaniline?
2,4,6-trichloro-3,5-dimethylaniline has a molecular weight of 224.52 g/mol, XLogP of 3.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-3,5-dimethylaniline is sourced from PubChem (CID 130155317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).