2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine

C10H15NS — CID 6624839

IUPAC2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine
SMILESNCCc1csc2c1CCCC2
InChIInChI=1S/C10H15NS/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h7H,1-6,11H2
InChIKeyQWZNRJVGYXLBCJ-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.13
Rot. Bonds2

About 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine

2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine (PubChem CID 6624839) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine
PubChem CID6624839
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine
SMILESNCCc1csc2c1CCCC2
InChIInChI=1S/C10H15NS/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h7H,1-6,11H2
InChIKeyQWZNRJVGYXLBCJ-UHFFFAOYSA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine (CID 6624839) is 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine is NCCc1csc2c1CCCC2.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine?
The InChIKey is QWZNRJVGYXLBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h7H,1-6,11H2.
What are the key properties of 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine?
2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine has a molecular weight of 181.30 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanamine is sourced from PubChem (CID 6624839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).