N-(2-thiophen-2-ylethyl)aniline

C12H13NS — CID 60984716

IUPACN-(2-thiophen-2-ylethyl)aniline
SMILESc1ccc(NCCc2cccs2)cc1
InChIInChI=1S/C12H13NS/c1-2-5-11(6-3-1)13-9-8-12-7-4-10-14-12/h1-7,10,13H,8-9H2
InChIKeyGJUDJASKMQNRSX-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.40
Rot. Bonds4

About N-(2-thiophen-2-ylethyl)aniline

N-(2-thiophen-2-ylethyl)aniline (PubChem CID 60984716) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)aniline
PubChem CID60984716
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC NameN-(2-thiophen-2-ylethyl)aniline
SMILESc1ccc(NCCc2cccs2)cc1
InChIInChI=1S/C12H13NS/c1-2-5-11(6-3-1)13-9-8-12-7-4-10-14-12/h1-7,10,13H,8-9H2
InChIKeyGJUDJASKMQNRSX-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of N-(2-thiophen-2-ylethyl)aniline (CID 60984716) is N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for N-(2-thiophen-2-ylethyl)aniline is c1ccc(NCCc2cccs2)cc1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is GJUDJASKMQNRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-2-5-11(6-3-1)13-9-8-12-7-4-10-14-12/h1-7,10,13H,8-9H2.
What are the key properties of N-(2-thiophen-2-ylethyl)aniline?
N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 203.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 60984716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).