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

C12H8Cl3N — CID 66997456

IUPAC2,6-dichloro-4-(2-chlorophenyl)aniline
SMILESNc1c(Cl)cc(-c2ccccc2Cl)cc1Cl
InChIInChI=1S/C12H8Cl3N/c13-9-4-2-1-3-8(9)7-5-10(14)12(16)11(15)6-7/h1-6H,16H2
InChIKeyBVRGBIDXIPTAFZ-UHFFFAOYSA-N
MW272.56 g/mol
LogP4.90
Rot. Bonds1

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

2,6-dichloro-4-(2-chlorophenyl)aniline (PubChem CID 66997456) has the molecular formula C12H8Cl3N and a molecular weight of 272.56 g/mol. Its IUPAC name is 2,6-dichloro-4-(2-chlorophenyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-(2-chlorophenyl)aniline
PubChem CID66997456
Molecular FormulaC12H8Cl3N
Molecular Weight272.56 g/mol
Exact Mass270.97
IUPAC Name2,6-dichloro-4-(2-chlorophenyl)aniline
SMILESNc1c(Cl)cc(-c2ccccc2Cl)cc1Cl
InChIInChI=1S/C12H8Cl3N/c13-9-4-2-1-3-8(9)7-5-10(14)12(16)11(15)6-7/h1-6H,16H2
InChIKeyBVRGBIDXIPTAFZ-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'}

Analyze 2,6-dichloro-4-(2-chlorophenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(2-chlorophenyl)aniline?
The IUPAC name of 2,6-dichloro-4-(2-chlorophenyl)aniline (CID 66997456) is 2,6-dichloro-4-(2-chlorophenyl)aniline.
What is the SMILES notation for 2,6-dichloro-4-(2-chlorophenyl)aniline?
The canonical SMILES for 2,6-dichloro-4-(2-chlorophenyl)aniline is Nc1c(Cl)cc(-c2ccccc2Cl)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(2-chlorophenyl)aniline?
The InChIKey is BVRGBIDXIPTAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3N/c13-9-4-2-1-3-8(9)7-5-10(14)12(16)11(15)6-7/h1-6H,16H2.
What are the key properties of 2,6-dichloro-4-(2-chlorophenyl)aniline?
2,6-dichloro-4-(2-chlorophenyl)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 2,6-dichloro-4-(2-chlorophenyl)aniline is sourced from PubChem (CID 66997456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).