3,4-dichloro-2,5-dimethylaniline

C8H9Cl2N — CID 19096888

IUPAC3,4-dichloro-2,5-dimethylaniline
SMILESCc1cc(N)c(C)c(Cl)c1Cl
InChIInChI=1S/C8H9Cl2N/c1-4-3-6(11)5(2)8(10)7(4)9/h3H,11H2,1-2H3
InChIKeyZVAZBNJFPRJTLY-UHFFFAOYSA-N
MW190.07 g/mol
LogP3.19
Rot. Bonds

About 3,4-dichloro-2,5-dimethylaniline

3,4-dichloro-2,5-dimethylaniline (PubChem CID 19096888) has the molecular formula C8H9Cl2N and a molecular weight of 190.07 g/mol. Its IUPAC name is 3,4-dichloro-2,5-dimethylaniline.

Molecular Properties

Compound Name3,4-dichloro-2,5-dimethylaniline
PubChem CID19096888
Molecular FormulaC8H9Cl2N
Molecular Weight190.07 g/mol
Exact Mass189.01
IUPAC Name3,4-dichloro-2,5-dimethylaniline
SMILESCc1cc(N)c(C)c(Cl)c1Cl
InChIInChI=1S/C8H9Cl2N/c1-4-3-6(11)5(2)8(10)7(4)9/h3H,11H2,1-2H3
InChIKeyZVAZBNJFPRJTLY-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 53.19
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 3,4-dichloro-2,5-dimethylaniline?
The IUPAC name of 3,4-dichloro-2,5-dimethylaniline (CID 19096888) is 3,4-dichloro-2,5-dimethylaniline.
What is the SMILES notation for 3,4-dichloro-2,5-dimethylaniline?
The canonical SMILES for 3,4-dichloro-2,5-dimethylaniline is Cc1cc(N)c(C)c(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-2,5-dimethylaniline?
The InChIKey is ZVAZBNJFPRJTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N/c1-4-3-6(11)5(2)8(10)7(4)9/h3H,11H2,1-2H3.
What are the key properties of 3,4-dichloro-2,5-dimethylaniline?
3,4-dichloro-2,5-dimethylaniline has a molecular weight of 190.07 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2,5-dimethylaniline is sourced from PubChem (CID 19096888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).