1-(1-benzothiophen-3-yl)propan-2-amine

C11H13NS — CID 517826

IUPAC1-(1-benzothiophen-3-yl)propan-2-amine
SMILESCC(N)Cc1csc2ccccc12
InChIInChI=1S/C11H13NS/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8H,6,12H2,1H3
InChIKeyNJJBOBSLFFUELD-UHFFFAOYSA-N
MW191.30 g/mol
LogP2.79
Rot. Bonds2

About 1-(1-benzothiophen-3-yl)propan-2-amine

1-(1-benzothiophen-3-yl)propan-2-amine (PubChem CID 517826) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)propan-2-amine
PubChem CID517826
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name1-(1-benzothiophen-3-yl)propan-2-amine
SMILESCC(N)Cc1csc2ccccc12
InChIInChI=1S/C11H13NS/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8H,6,12H2,1H3
InChIKeyNJJBOBSLFFUELD-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)propan-2-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)propan-2-amine (CID 517826) is 1-(1-benzothiophen-3-yl)propan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)propan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)propan-2-amine is CC(N)Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)propan-2-amine?
The InChIKey is NJJBOBSLFFUELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8H,6,12H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)propan-2-amine?
1-(1-benzothiophen-3-yl)propan-2-amine has a molecular weight of 191.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)propan-2-amine is sourced from PubChem (CID 517826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).