2,4-dichloro-6-(2,4-dichlorophenyl)aniline

C12H7Cl4N — CID 71372791

IUPAC2,4-dichloro-6-(2,4-dichlorophenyl)aniline
SMILESNc1c(Cl)cc(Cl)cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl4N/c13-6-1-2-8(10(15)4-6)9-3-7(14)5-11(16)12(9)17/h1-5H,17H2
InChIKeyKXKSJSCUJYXYIN-UHFFFAOYSA-N
MW307.01 g/mol
LogP5.55
Rot. Bonds1

About 2,4-dichloro-6-(2,4-dichlorophenyl)aniline

2,4-dichloro-6-(2,4-dichlorophenyl)aniline (PubChem CID 71372791) has the molecular formula C12H7Cl4N and a molecular weight of 307.01 g/mol. Its IUPAC name is 2,4-dichloro-6-(2,4-dichlorophenyl)aniline.

Molecular Properties

Compound Name2,4-dichloro-6-(2,4-dichlorophenyl)aniline
PubChem CID71372791
Molecular FormulaC12H7Cl4N
Molecular Weight307.01 g/mol
Exact Mass304.93
IUPAC Name2,4-dichloro-6-(2,4-dichlorophenyl)aniline
SMILESNc1c(Cl)cc(Cl)cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl4N/c13-6-1-2-8(10(15)4-6)9-3-7(14)5-11(16)12(9)17/h1-5H,17H2
InChIKeyKXKSJSCUJYXYIN-UHFFFAOYSA-N
XLogP5.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.01
LogP ≤ 55.55
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

4-chloro-2-(2,4-dichlorophenyl)aniline
CID 81274576
5-chloro-2-(2,4-dichlorophenyl)aniline
CID 70539769
5-chloro-2-(2,4-dichlorophenyl)phenol
CID 174783468
5-(2,4-dichlorophenyl)-2-fluoroaniline
CID 91827858
[5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine
CID 66159336
[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
CID 61271772
2,6-bis(2,4-dichlorophenyl)pyridin-4-amine
CID 133087176
3-fluoro-4-(2,4,6-trichlorophenyl)aniline
CID 105349877
4-chloro-2-(2,3,5,6-tetrachlorophenyl)aniline
CID 81275413
3-(2,4-dichlorophenyl)-4,5-dimethylthiophen-2-amine
CID 82366103
3-amino-5-(2,4-dichlorophenyl)-1H-pyridin-4-one
CID 130088720
3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline
CID 165449932

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2,4-dichlorophenyl)aniline?
The IUPAC name of 2,4-dichloro-6-(2,4-dichlorophenyl)aniline (CID 71372791) is 2,4-dichloro-6-(2,4-dichlorophenyl)aniline.
What is the SMILES notation for 2,4-dichloro-6-(2,4-dichlorophenyl)aniline?
The canonical SMILES for 2,4-dichloro-6-(2,4-dichlorophenyl)aniline is Nc1c(Cl)cc(Cl)cc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-6-(2,4-dichlorophenyl)aniline?
The InChIKey is KXKSJSCUJYXYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl4N/c13-6-1-2-8(10(15)4-6)9-3-7(14)5-11(16)12(9)17/h1-5H,17H2.
What are the key properties of 2,4-dichloro-6-(2,4-dichlorophenyl)aniline?
2,4-dichloro-6-(2,4-dichlorophenyl)aniline has a molecular weight of 307.01 g/mol, XLogP of 5.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2,4-dichlorophenyl)aniline is sourced from PubChem (CID 71372791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).