4-methyl-2-(1-thiophen-3-ylethenyl)aniline

C13H13NS — CID 166438269

IUPAC4-methyl-2-(1-thiophen-3-ylethenyl)aniline
SMILESC=C(c1ccsc1)c1cc(C)ccc1N
InChIInChI=1S/C13H13NS/c1-9-3-4-13(14)12(7-9)10(2)11-5-6-15-8-11/h3-8H,2,14H2,1H3
InChIKeyZWAPHUHQGLAFCZ-UHFFFAOYSA-N
MW215.32 g/mol
LogP3.70
Rot. Bonds2

About 4-methyl-2-(1-thiophen-3-ylethenyl)aniline

4-methyl-2-(1-thiophen-3-ylethenyl)aniline (PubChem CID 166438269) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-methyl-2-(1-thiophen-3-ylethenyl)aniline.

Molecular Properties

Compound Name4-methyl-2-(1-thiophen-3-ylethenyl)aniline
PubChem CID166438269
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name4-methyl-2-(1-thiophen-3-ylethenyl)aniline
SMILESC=C(c1ccsc1)c1cc(C)ccc1N
InChIInChI=1S/C13H13NS/c1-9-3-4-13(14)12(7-9)10(2)11-5-6-15-8-11/h3-8H,2,14H2,1H3
InChIKeyZWAPHUHQGLAFCZ-UHFFFAOYSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-thiophen-3-ylethenyl)aniline?
The IUPAC name of 4-methyl-2-(1-thiophen-3-ylethenyl)aniline (CID 166438269) is 4-methyl-2-(1-thiophen-3-ylethenyl)aniline.
What is the SMILES notation for 4-methyl-2-(1-thiophen-3-ylethenyl)aniline?
The canonical SMILES for 4-methyl-2-(1-thiophen-3-ylethenyl)aniline is C=C(c1ccsc1)c1cc(C)ccc1N.
What is the InChIKey of 4-methyl-2-(1-thiophen-3-ylethenyl)aniline?
The InChIKey is ZWAPHUHQGLAFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS/c1-9-3-4-13(14)12(7-9)10(2)11-5-6-15-8-11/h3-8H,2,14H2,1H3.
What are the key properties of 4-methyl-2-(1-thiophen-3-ylethenyl)aniline?
4-methyl-2-(1-thiophen-3-ylethenyl)aniline has a molecular weight of 215.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-thiophen-3-ylethenyl)aniline is sourced from PubChem (CID 166438269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).