2,4-dichloro-6-methylaniline

C7H7Cl2N — CID 1268287

IUPAC2,4-dichloro-6-methylaniline
SMILESCc1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C7H7Cl2N/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3
InChIKeyUAISVUGQLKXPFF-UHFFFAOYSA-N
MW176.05 g/mol
LogP2.88
Rot. Bonds

About 2,4-dichloro-6-methylaniline

2,4-dichloro-6-methylaniline (PubChem CID 1268287) has the molecular formula C7H7Cl2N and a molecular weight of 176.05 g/mol. Its IUPAC name is 2,4-dichloro-6-methylaniline.

Molecular Properties

Compound Name2,4-dichloro-6-methylaniline
PubChem CID1268287
Molecular FormulaC7H7Cl2N
Molecular Weight176.05 g/mol
Exact Mass175.00
IUPAC Name2,4-dichloro-6-methylaniline
SMILESCc1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C7H7Cl2N/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3
InChIKeyUAISVUGQLKXPFF-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'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methylaniline?
The IUPAC name of 2,4-dichloro-6-methylaniline (CID 1268287) is 2,4-dichloro-6-methylaniline.
What is the SMILES notation for 2,4-dichloro-6-methylaniline?
The canonical SMILES for 2,4-dichloro-6-methylaniline is Cc1cc(Cl)cc(Cl)c1N.
What is the InChIKey of 2,4-dichloro-6-methylaniline?
The InChIKey is UAISVUGQLKXPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3.
What are the key properties of 2,4-dichloro-6-methylaniline?
2,4-dichloro-6-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 2,4-dichloro-6-methylaniline is sourced from PubChem (CID 1268287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).