1-(1-benzothiophen-2-yl)ethanamine

C10H11NS — CID 3904659

IUPAC1-(1-benzothiophen-2-yl)ethanamine
SMILESCC(N)c1cc2ccccc2s1
InChIInChI=1S/C10H11NS/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7H,11H2,1H3
InChIKeyOELFZKCSIUHOHM-UHFFFAOYSA-N
MW177.27 g/mol
LogP2.92
Rot. Bonds1

About 1-(1-benzothiophen-2-yl)ethanamine

1-(1-benzothiophen-2-yl)ethanamine (PubChem CID 3904659) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)ethanamine
PubChem CID3904659
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name1-(1-benzothiophen-2-yl)ethanamine
SMILESCC(N)c1cc2ccccc2s1
InChIInChI=1S/C10H11NS/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7H,11H2,1H3
InChIKeyOELFZKCSIUHOHM-UHFFFAOYSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)ethanamine (CID 3904659) is 1-(1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)ethanamine is CC(N)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)ethanamine?
The InChIKey is OELFZKCSIUHOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7H,11H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)ethanamine?
1-(1-benzothiophen-2-yl)ethanamine has a molecular weight of 177.27 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 3904659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).