2,4,6-trichloro-N-propan-2-ylaniline

C9H10Cl3N — CID 28992463

IUPAC2,4,6-trichloro-N-propan-2-ylaniline
SMILESCC(C)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl3N/c1-5(2)13-9-7(11)3-6(10)4-8(9)12/h3-5,13H,1-2H3
InChIKeyFQJBLIKGCVGDNM-UHFFFAOYSA-N
MW238.55 g/mol
LogP4.47
Rot. Bonds2

About 2,4,6-trichloro-N-propan-2-ylaniline

2,4,6-trichloro-N-propan-2-ylaniline (PubChem CID 28992463) has the molecular formula C9H10Cl3N and a molecular weight of 238.55 g/mol. Its IUPAC name is 2,4,6-trichloro-N-propan-2-ylaniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-propan-2-ylaniline
PubChem CID28992463
Molecular FormulaC9H10Cl3N
Molecular Weight238.55 g/mol
Exact Mass236.99
IUPAC Name2,4,6-trichloro-N-propan-2-ylaniline
SMILESCC(C)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl3N/c1-5(2)13-9-7(11)3-6(10)4-8(9)12/h3-5,13H,1-2H3
InChIKeyFQJBLIKGCVGDNM-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.55
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-(2,4,6-trichloroanilino)butan-2-ol
CID 65332741
3,5-dichloro-N-propan-2-ylpyridin-4-amine
CID 23352265
2,4,6-trichloro-N-[chloro-(2,4,6-trichlorophenyl)methyl]aniline
CID 174433894
2,6-dichloro-4-nitro-N-propan-2-ylaniline
CID 13358260
3,5-dichloro-N-propan-2-ylaniline
CID 2758170
2-[1-(2,4,6-trichloroanilino)ethyl]benzene-1,3-diol
CID 107710532
2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43126484
1-(azepan-1-yl)-2-(2,4,6-trichloroanilino)propan-1-one
CID 43126506
2,4,6-trichloro-N-[1-(2,5-dimethylphenyl)ethyl]aniline
CID 43126457
2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 43773688
2,4,6-trichloro-N-(3-methyl-1-phenylbutyl)aniline
CID 63425749
3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol
CID 107714699

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-propan-2-ylaniline?
The IUPAC name of 2,4,6-trichloro-N-propan-2-ylaniline (CID 28992463) is 2,4,6-trichloro-N-propan-2-ylaniline.
What is the SMILES notation for 2,4,6-trichloro-N-propan-2-ylaniline?
The canonical SMILES for 2,4,6-trichloro-N-propan-2-ylaniline is CC(C)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-propan-2-ylaniline?
The InChIKey is FQJBLIKGCVGDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl3N/c1-5(2)13-9-7(11)3-6(10)4-8(9)12/h3-5,13H,1-2H3.
What are the key properties of 2,4,6-trichloro-N-propan-2-ylaniline?
2,4,6-trichloro-N-propan-2-ylaniline has a molecular weight of 238.55 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-propan-2-ylaniline is sourced from PubChem (CID 28992463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).