3-(2,5-dichlorothiophen-3-yl)-4-methoxyaniline

C11H9Cl2NOS — CID 61318620

IUPAC3-(2,5-dichlorothiophen-3-yl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1-c1cc(Cl)sc1Cl
InChIInChI=1S/C11H9Cl2NOS/c1-15-9-3-2-6(14)4-7(9)8-5-10(12)16-11(8)13/h2-5H,14H2,1H3
InChIKeyJPPVHRJDHDHHKA-UHFFFAOYSA-N
MW274.17 g/mol
LogP4.31
Rot. Bonds2

About 3-(2,5-dichlorothiophen-3-yl)-4-methoxyaniline

3-(2,5-dichlorothiophen-3-yl)-4-methoxyaniline (PubChem CID 61318620) has the molecular formula C11H9Cl2NOS and a molecular weight of 274.17 g/mol. Its IUPAC name is 3-(2,5-dichlorothiophen-3-yl)-4-methoxyaniline.

Molecular Properties

Compound Name3-(2,5-dichlorothiophen-3-yl)-4-methoxyaniline
PubChem CID61318620
Molecular FormulaC11H9Cl2NOS
Molecular Weight274.17 g/mol
Exact Mass272.98
IUPAC Name3-(2,5-dichlorothiophen-3-yl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1-c1cc(Cl)sc1Cl
InChIInChI=1S/C11H9Cl2NOS/c1-15-9-3-2-6(14)4-7(9)8-5-10(12)16-11(8)13/h2-5H,14H2,1H3
InChIKeyJPPVHRJDHDHHKA-UHFFFAOYSA-N
XLogP4.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,5-dichlorothiophen-3-yl)-4-methoxyaniline?
The IUPAC name of 3-(2,5-dichlorothiophen-3-yl)-4-methoxyaniline (CID 61318620) is 3-(2,5-dichlorothiophen-3-yl)-4-methoxyaniline.
What is the SMILES notation for 3-(2,5-dichlorothiophen-3-yl)-4-methoxyaniline?
The canonical SMILES for 3-(2,5-dichlorothiophen-3-yl)-4-methoxyaniline is COc1ccc(N)cc1-c1cc(Cl)sc1Cl.
What is the InChIKey of 3-(2,5-dichlorothiophen-3-yl)-4-methoxyaniline?
The InChIKey is JPPVHRJDHDHHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NOS/c1-15-9-3-2-6(14)4-7(9)8-5-10(12)16-11(8)13/h2-5H,14H2,1H3.
What are the key properties of 3-(2,5-dichlorothiophen-3-yl)-4-methoxyaniline?
3-(2,5-dichlorothiophen-3-yl)-4-methoxyaniline has a molecular weight of 274.17 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorothiophen-3-yl)-4-methoxyaniline is sourced from PubChem (CID 61318620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).