4-(1-aminoethyl)-6,7-dihydro-5H-2-benzothiophen-4-ol

C10H15NOS — CID 82398681

IUPAC4-(1-aminoethyl)-6,7-dihydro-5H-2-benzothiophen-4-ol
SMILESCC(N)C1(O)CCCc2cscc21
InChIInChI=1S/C10H15NOS/c1-7(11)10(12)4-2-3-8-5-13-6-9(8)10/h5-7,12H,2-4,11H2,1H3
InChIKeyMDXULUCRWCQZJJ-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.62
Rot. Bonds1

About 4-(1-aminoethyl)-6,7-dihydro-5H-2-benzothiophen-4-ol

4-(1-aminoethyl)-6,7-dihydro-5H-2-benzothiophen-4-ol (PubChem CID 82398681) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 4-(1-aminoethyl)-6,7-dihydro-5H-2-benzothiophen-4-ol.

Molecular Properties

Compound Name4-(1-aminoethyl)-6,7-dihydro-5H-2-benzothiophen-4-ol
PubChem CID82398681
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name4-(1-aminoethyl)-6,7-dihydro-5H-2-benzothiophen-4-ol
SMILESCC(N)C1(O)CCCc2cscc21
InChIInChI=1S/C10H15NOS/c1-7(11)10(12)4-2-3-8-5-13-6-9(8)10/h5-7,12H,2-4,11H2,1H3
InChIKeyMDXULUCRWCQZJJ-UHFFFAOYSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1-aminoethyl)-6,7-dihydro-5H-2-benzothiophen-4-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-6,7-dihydro-5H-2-benzothiophen-4-ol?
The IUPAC name of 4-(1-aminoethyl)-6,7-dihydro-5H-2-benzothiophen-4-ol (CID 82398681) is 4-(1-aminoethyl)-6,7-dihydro-5H-2-benzothiophen-4-ol.
What is the SMILES notation for 4-(1-aminoethyl)-6,7-dihydro-5H-2-benzothiophen-4-ol?
The canonical SMILES for 4-(1-aminoethyl)-6,7-dihydro-5H-2-benzothiophen-4-ol is CC(N)C1(O)CCCc2cscc21.
What is the InChIKey of 4-(1-aminoethyl)-6,7-dihydro-5H-2-benzothiophen-4-ol?
The InChIKey is MDXULUCRWCQZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7(11)10(12)4-2-3-8-5-13-6-9(8)10/h5-7,12H,2-4,11H2,1H3.
What are the key properties of 4-(1-aminoethyl)-6,7-dihydro-5H-2-benzothiophen-4-ol?
4-(1-aminoethyl)-6,7-dihydro-5H-2-benzothiophen-4-ol has a molecular weight of 197.30 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-6,7-dihydro-5H-2-benzothiophen-4-ol is sourced from PubChem (CID 82398681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).