1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one

C15H17NOS — CID 116577708

IUPAC1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one
SMILESNCCc1ccc(C(=O)CCc2ccsc2)cc1
InChIInChI=1S/C15H17NOS/c16-9-7-12-1-4-14(5-2-12)15(17)6-3-13-8-10-18-11-13/h1-2,4-5,8,10-11H,3,6-7,9,16H2
InChIKeyGPKJLOLUQSHBKN-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.06
Rot. Bonds6

About 1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one

1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one (PubChem CID 116577708) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one
PubChem CID116577708
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one
SMILESNCCc1ccc(C(=O)CCc2ccsc2)cc1
InChIInChI=1S/C15H17NOS/c16-9-7-12-1-4-14(5-2-12)15(17)6-3-13-8-10-18-11-13/h1-2,4-5,8,10-11H,3,6-7,9,16H2
InChIKeyGPKJLOLUQSHBKN-UHFFFAOYSA-N
XLogP3.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one
CID 116548804
1-(4-butoxyphenyl)-3-thiophen-3-ylpropan-1-one
CID 105099876
1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 107502319
1-phenyl-5-thiophen-3-ylpentan-1-one
CID 64503847
1-(2,3-dihydro-1H-isoindol-5-yl)-3-thiophen-3-ylpropan-1-one
CID 116613033
1-(1,3-dihydro-2-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one
CID 114972119
1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one
CID 116548233
1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 105099908
1-(2-aminoethoxy)-4-thiophen-3-ylbutan-2-one
CID 116590981
1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one
CID 114972208
1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one
CID 114972087
5-thiophen-3-ylpentanamide
CID 11171370

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one (CID 116577708) is 1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one is NCCc1ccc(C(=O)CCc2ccsc2)cc1.
What is the InChIKey of 1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one?
The InChIKey is GPKJLOLUQSHBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c16-9-7-12-1-4-14(5-2-12)15(17)6-3-13-8-10-18-11-13/h1-2,4-5,8,10-11H,3,6-7,9,16H2.
What are the key properties of 1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one?
1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one has a molecular weight of 259.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 116577708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).