3,5-dichloro-4-methoxyaniline

C7H7Cl2NO — CID 13178651

IUPAC3,5-dichloro-4-methoxyaniline
SMILESCOc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C7H7Cl2NO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,10H2,1H3
InChIKeyGNFMBCBDTFAEHM-UHFFFAOYSA-N
MW192.05 g/mol
LogP2.58
Rot. Bonds1

About 3,5-dichloro-4-methoxyaniline

3,5-dichloro-4-methoxyaniline (PubChem CID 13178651) has the molecular formula C7H7Cl2NO and a molecular weight of 192.05 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxyaniline.

Molecular Properties

Compound Name3,5-dichloro-4-methoxyaniline
PubChem CID13178651
Molecular FormulaC7H7Cl2NO
Molecular Weight192.05 g/mol
Exact Mass190.99
IUPAC Name3,5-dichloro-4-methoxyaniline
SMILESCOc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C7H7Cl2NO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,10H2,1H3
InChIKeyGNFMBCBDTFAEHM-UHFFFAOYSA-N
XLogP2.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.05
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-dichloro-4-methoxyaniline 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 3,5-dichloro-4-methoxyaniline?
The IUPAC name of 3,5-dichloro-4-methoxyaniline (CID 13178651) is 3,5-dichloro-4-methoxyaniline.
What is the SMILES notation for 3,5-dichloro-4-methoxyaniline?
The canonical SMILES for 3,5-dichloro-4-methoxyaniline is COc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxyaniline?
The InChIKey is GNFMBCBDTFAEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,10H2,1H3.
What are the key properties of 3,5-dichloro-4-methoxyaniline?
3,5-dichloro-4-methoxyaniline has a molecular weight of 192.05 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxyaniline is sourced from PubChem (CID 13178651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).