2,6-dichloro-4-methylaniline

C7H7Cl2N — CID 3017030

IUPAC2,6-dichloro-4-methylaniline
SMILESCc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C7H7Cl2N/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3
InChIKeyHMUDNHJDRNNRIE-UHFFFAOYSA-N
MW176.05 g/mol
LogP2.88
Rot. Bonds

About 2,6-dichloro-4-methylaniline

2,6-dichloro-4-methylaniline (PubChem CID 3017030) has the molecular formula C7H7Cl2N and a molecular weight of 176.05 g/mol. Its IUPAC name is 2,6-dichloro-4-methylaniline.

Molecular Properties

Compound Name2,6-dichloro-4-methylaniline
PubChem CID3017030
Molecular FormulaC7H7Cl2N
Molecular Weight176.05 g/mol
Exact Mass175.00
IUPAC Name2,6-dichloro-4-methylaniline
SMILESCc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C7H7Cl2N/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3
InChIKeyHMUDNHJDRNNRIE-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.05
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-4-methylaniline 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-methylaniline?
The IUPAC name of 2,6-dichloro-4-methylaniline (CID 3017030) is 2,6-dichloro-4-methylaniline.
What is the SMILES notation for 2,6-dichloro-4-methylaniline?
The canonical SMILES for 2,6-dichloro-4-methylaniline is Cc1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-methylaniline?
The InChIKey is HMUDNHJDRNNRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3.
What are the key properties of 2,6-dichloro-4-methylaniline?
2,6-dichloro-4-methylaniline has a molecular weight of 176.05 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-methylaniline is sourced from PubChem (CID 3017030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).