3-(2-thiophen-2-ylethyl)aniline

C12H13NS — CID 170738786

IUPAC3-(2-thiophen-2-ylethyl)aniline
SMILESNc1cccc(CCc2cccs2)c1
InChIInChI=1S/C12H13NS/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h1-5,8-9H,6-7,13H2
InChIKeyRFCXNJPKTCGOOY-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.12
Rot. Bonds3

About 3-(2-thiophen-2-ylethyl)aniline

3-(2-thiophen-2-ylethyl)aniline (PubChem CID 170738786) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name3-(2-thiophen-2-ylethyl)aniline
PubChem CID170738786
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name3-(2-thiophen-2-ylethyl)aniline
SMILESNc1cccc(CCc2cccs2)c1
InChIInChI=1S/C12H13NS/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h1-5,8-9H,6-7,13H2
InChIKeyRFCXNJPKTCGOOY-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384051
N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 43383718
1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 43527299
3-N-propyl-3-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine
CID 63774185
2-[2-(4-methylphenyl)ethyl]thiophene
CID 10488340
1-(3-aminophenyl)-2-thiophen-2-ylethanol
CID 106695892
2-thiophen-2-ylethyl N-(3-aminophenyl)carbamate
CID 54967170
1-(4-aminophenyl)-4-thiophen-2-ylbutan-2-one
CID 116549524
ethane;3-propylaniline;vanadium
CID 143596420
3-(3-fluoropropyl)aniline
CID 83855660
3-(3-aminophenyl)propan-1-ol
CID 10103334
3-(2-thiophen-2-ylethyl)-1,2-oxazol-5-amine
CID 82075946

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 3-(2-thiophen-2-ylethyl)aniline (CID 170738786) is 3-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 3-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 3-(2-thiophen-2-ylethyl)aniline is Nc1cccc(CCc2cccs2)c1.
What is the InChIKey of 3-(2-thiophen-2-ylethyl)aniline?
The InChIKey is RFCXNJPKTCGOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h1-5,8-9H,6-7,13H2.
What are the key properties of 3-(2-thiophen-2-ylethyl)aniline?
3-(2-thiophen-2-ylethyl)aniline has a molecular weight of 203.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 170738786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).