3-(5-chlorothiophen-2-yl)-4-methoxyaniline

C11H10ClNOS — CID 61320059

IUPAC3-(5-chlorothiophen-2-yl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1-c1ccc(Cl)s1
InChIInChI=1S/C11H10ClNOS/c1-14-9-3-2-7(13)6-8(9)10-4-5-11(12)15-10/h2-6H,13H2,1H3
InChIKeyWTLXNAAJOHNQQU-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.66
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)-4-methoxyaniline

3-(5-chlorothiophen-2-yl)-4-methoxyaniline (PubChem CID 61320059) has the molecular formula C11H10ClNOS and a molecular weight of 239.73 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-4-methoxyaniline.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-4-methoxyaniline
PubChem CID61320059
Molecular FormulaC11H10ClNOS
Molecular Weight239.73 g/mol
Exact Mass239.02
IUPAC Name3-(5-chlorothiophen-2-yl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1-c1ccc(Cl)s1
InChIInChI=1S/C11H10ClNOS/c1-14-9-3-2-7(13)6-8(9)10-4-5-11(12)15-10/h2-6H,13H2,1H3
InChIKeyWTLXNAAJOHNQQU-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.66
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-(5-chlorothiophen-2-yl)-4-methoxyaniline?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-4-methoxyaniline (CID 61320059) is 3-(5-chlorothiophen-2-yl)-4-methoxyaniline.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-4-methoxyaniline?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-4-methoxyaniline is COc1ccc(N)cc1-c1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-4-methoxyaniline?
The InChIKey is WTLXNAAJOHNQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS/c1-14-9-3-2-7(13)6-8(9)10-4-5-11(12)15-10/h2-6H,13H2,1H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-4-methoxyaniline?
3-(5-chlorothiophen-2-yl)-4-methoxyaniline has a molecular weight of 239.73 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-4-methoxyaniline is sourced from PubChem (CID 61320059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).