2-ethyl-4-(5-methylthiophen-2-yl)aniline

C13H15NS — CID 67522435

IUPAC2-ethyl-4-(5-methylthiophen-2-yl)aniline
SMILESCCc1cc(-c2ccc(C)s2)ccc1N
InChIInChI=1S/C13H15NS/c1-3-10-8-11(5-6-12(10)14)13-7-4-9(2)15-13/h4-8H,3,14H2,1-2H3
InChIKeyRDXHOZFPOCZYJB-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.87
Rot. Bonds2

About 2-ethyl-4-(5-methylthiophen-2-yl)aniline

2-ethyl-4-(5-methylthiophen-2-yl)aniline (PubChem CID 67522435) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 2-ethyl-4-(5-methylthiophen-2-yl)aniline.

Molecular Properties

Compound Name2-ethyl-4-(5-methylthiophen-2-yl)aniline
PubChem CID67522435
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name2-ethyl-4-(5-methylthiophen-2-yl)aniline
SMILESCCc1cc(-c2ccc(C)s2)ccc1N
InChIInChI=1S/C13H15NS/c1-3-10-8-11(5-6-12(10)14)13-7-4-9(2)15-13/h4-8H,3,14H2,1-2H3
InChIKeyRDXHOZFPOCZYJB-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.87
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 2-ethyl-4-(5-methylthiophen-2-yl)aniline?
The IUPAC name of 2-ethyl-4-(5-methylthiophen-2-yl)aniline (CID 67522435) is 2-ethyl-4-(5-methylthiophen-2-yl)aniline.
What is the SMILES notation for 2-ethyl-4-(5-methylthiophen-2-yl)aniline?
The canonical SMILES for 2-ethyl-4-(5-methylthiophen-2-yl)aniline is CCc1cc(-c2ccc(C)s2)ccc1N.
What is the InChIKey of 2-ethyl-4-(5-methylthiophen-2-yl)aniline?
The InChIKey is RDXHOZFPOCZYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-3-10-8-11(5-6-12(10)14)13-7-4-9(2)15-13/h4-8H,3,14H2,1-2H3.
What are the key properties of 2-ethyl-4-(5-methylthiophen-2-yl)aniline?
2-ethyl-4-(5-methylthiophen-2-yl)aniline has a molecular weight of 217.34 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(5-methylthiophen-2-yl)aniline is sourced from PubChem (CID 67522435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).