4-(2,4,6-trichlorophenyl)aniline

C12H8Cl3N — CID 19980994

IUPAC4-(2,4,6-trichlorophenyl)aniline
SMILESNc1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C12H8Cl3N/c13-8-5-10(14)12(11(15)6-8)7-1-3-9(16)4-2-7/h1-6H,16H2
InChIKeyJJFRWWDZIRJZNX-UHFFFAOYSA-N
MW272.56 g/mol
LogP4.90
Rot. Bonds1

About 4-(2,4,6-trichlorophenyl)aniline

4-(2,4,6-trichlorophenyl)aniline (PubChem CID 19980994) has the molecular formula C12H8Cl3N and a molecular weight of 272.56 g/mol. Its IUPAC name is 4-(2,4,6-trichlorophenyl)aniline.

Molecular Properties

Compound Name4-(2,4,6-trichlorophenyl)aniline
PubChem CID19980994
Molecular FormulaC12H8Cl3N
Molecular Weight272.56 g/mol
Exact Mass270.97
IUPAC Name4-(2,4,6-trichlorophenyl)aniline
SMILESNc1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C12H8Cl3N/c13-8-5-10(14)12(11(15)6-8)7-1-3-9(16)4-2-7/h1-6H,16H2
InChIKeyJJFRWWDZIRJZNX-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.56
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3'-Dichloro-4,4'-Diaminodiphenylmethane
CID 7543
3,3'-Dichlorobenzidine
CID 7070
3,3'-Dichlorobenzidine dihydrochloride
CID 11933
3-Chloro-4-methylaniline
CID 7255
2,2',5,5'-Tetrachlorobenzidine
CID 27465
3-Chloro-4-methylaniline hydrochloride
CID 62651
4-Amino-4'-chlorodiphenyl
CID 8675
2-Amino-4'-chlorobiphenyl
CID 262261
2,2'-Dichlorobenzidine
CID 66538
3,5-Dichlorobenzidine
CID 124990
N-(4''-chloro-4-biphenylyl)methanesulfonamide
CID 11254540
5,7-Dichloro-2-naphthylamine
CID 289769

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trichlorophenyl)aniline?
The IUPAC name of 4-(2,4,6-trichlorophenyl)aniline (CID 19980994) is 4-(2,4,6-trichlorophenyl)aniline.
What is the SMILES notation for 4-(2,4,6-trichlorophenyl)aniline?
The canonical SMILES for 4-(2,4,6-trichlorophenyl)aniline is Nc1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-(2,4,6-trichlorophenyl)aniline?
The InChIKey is JJFRWWDZIRJZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3N/c13-8-5-10(14)12(11(15)6-8)7-1-3-9(16)4-2-7/h1-6H,16H2.
What are the key properties of 4-(2,4,6-trichlorophenyl)aniline?
4-(2,4,6-trichlorophenyl)aniline has a molecular weight of 272.56 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trichlorophenyl)aniline is sourced from PubChem (CID 19980994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).