3-(2,3-dihydro-1-benzothiophen-6-yl)propan-1-amine

C11H15NS — CID 82401609

IUPAC3-(2,3-dihydro-1-benzothiophen-6-yl)propan-1-amine
SMILESNCCCc1ccc2c(c1)SCC2
InChIInChI=1S/C11H15NS/c12-6-1-2-9-3-4-10-5-7-13-11(10)8-9/h3-4,8H,1-2,5-7,12H2
InChIKeyKTUWWVVXPVGKIR-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.23
Rot. Bonds3

About 3-(2,3-dihydro-1-benzothiophen-6-yl)propan-1-amine

3-(2,3-dihydro-1-benzothiophen-6-yl)propan-1-amine (PubChem CID 82401609) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-6-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-6-yl)propan-1-amine
PubChem CID82401609
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name3-(2,3-dihydro-1-benzothiophen-6-yl)propan-1-amine
SMILESNCCCc1ccc2c(c1)SCC2
InChIInChI=1S/C11H15NS/c12-6-1-2-9-3-4-10-5-7-13-11(10)8-9/h3-4,8H,1-2,5-7,12H2
InChIKeyKTUWWVVXPVGKIR-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-6-yl)propan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-6-yl)propan-1-amine (CID 82401609) is 3-(2,3-dihydro-1-benzothiophen-6-yl)propan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-6-yl)propan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-6-yl)propan-1-amine is NCCCc1ccc2c(c1)SCC2.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-6-yl)propan-1-amine?
The InChIKey is KTUWWVVXPVGKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c12-6-1-2-9-3-4-10-5-7-13-11(10)8-9/h3-4,8H,1-2,5-7,12H2.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-6-yl)propan-1-amine?
3-(2,3-dihydro-1-benzothiophen-6-yl)propan-1-amine has a molecular weight of 193.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-6-yl)propan-1-amine is sourced from PubChem (CID 82401609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).