2,4,6-trichloro-N,N-dimethylaniline

C8H8Cl3N — CID 12637282

IUPAC2,4,6-trichloro-N,N-dimethylaniline
SMILESCN(C)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl3N/c1-12(2)8-6(10)3-5(9)4-7(8)11/h3-4H,1-2H3
InChIKeyHRWDWHWDUUWPSV-UHFFFAOYSA-N
MW224.52 g/mol
LogP3.71
Rot. Bonds1

About 2,4,6-trichloro-N,N-dimethylaniline

2,4,6-trichloro-N,N-dimethylaniline (PubChem CID 12637282) has the molecular formula C8H8Cl3N and a molecular weight of 224.52 g/mol. Its IUPAC name is 2,4,6-trichloro-N,N-dimethylaniline.

Molecular Properties

Compound Name2,4,6-trichloro-N,N-dimethylaniline
PubChem CID12637282
Molecular FormulaC8H8Cl3N
Molecular Weight224.52 g/mol
Exact Mass222.97
IUPAC Name2,4,6-trichloro-N,N-dimethylaniline
SMILESCN(C)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl3N/c1-12(2)8-6(10)3-5(9)4-7(8)11/h3-4H,1-2H3
InChIKeyHRWDWHWDUUWPSV-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.52
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N,N-dimethylaniline?
The IUPAC name of 2,4,6-trichloro-N,N-dimethylaniline (CID 12637282) is 2,4,6-trichloro-N,N-dimethylaniline.
What is the SMILES notation for 2,4,6-trichloro-N,N-dimethylaniline?
The canonical SMILES for 2,4,6-trichloro-N,N-dimethylaniline is CN(C)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N,N-dimethylaniline?
The InChIKey is HRWDWHWDUUWPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3N/c1-12(2)8-6(10)3-5(9)4-7(8)11/h3-4H,1-2H3.
What are the key properties of 2,4,6-trichloro-N,N-dimethylaniline?
2,4,6-trichloro-N,N-dimethylaniline has a molecular weight of 224.52 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N,N-dimethylaniline is sourced from PubChem (CID 12637282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).