2-(5-methoxy-1-benzothiophen-3-yl)propan-1-amine

C12H15NOS — CID 117120754

IUPAC2-(5-methoxy-1-benzothiophen-3-yl)propan-1-amine
SMILESCOc1ccc2scc(C(C)CN)c2c1
InChIInChI=1S/C12H15NOS/c1-8(6-13)11-7-15-12-4-3-9(14-2)5-10(11)12/h3-5,7-8H,6,13H2,1-2H3
InChIKeyXDHZPGNYFPHSNH-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.97
Rot. Bonds3

About 2-(5-methoxy-1-benzothiophen-3-yl)propan-1-amine

2-(5-methoxy-1-benzothiophen-3-yl)propan-1-amine (PubChem CID 117120754) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-(5-methoxy-1-benzothiophen-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-methoxy-1-benzothiophen-3-yl)propan-1-amine
PubChem CID117120754
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name2-(5-methoxy-1-benzothiophen-3-yl)propan-1-amine
SMILESCOc1ccc2scc(C(C)CN)c2c1
InChIInChI=1S/C12H15NOS/c1-8(6-13)11-7-15-12-4-3-9(14-2)5-10(11)12/h3-5,7-8H,6,13H2,1-2H3
InChIKeyXDHZPGNYFPHSNH-UHFFFAOYSA-N
XLogP2.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-3-methyl-1-benzothiophene;3-methyl-1-benzothiophen-5-ol
CID 159990701
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2-[2-(4-aminopiperidin-1-yl)-1-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclohexan-1-ol;dihydrochloride
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(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
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2-(1-hydroxycyclohexyl)-2-(5-methoxy-1-benzothiophen-3-yl)acetic acid
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2-(5-methoxy-2-pyrrolidin-1-ylphenyl)propan-1-amine
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2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-1-amine
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[1-benzothiophen-3-yl-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397828
3-(1-fluoroethyl)-1-benzothiophen-5-ol
CID 84666921
2-ethoxy-8-methoxydibenzothiophene
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CID 166436778

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-benzothiophen-3-yl)propan-1-amine?
The IUPAC name of 2-(5-methoxy-1-benzothiophen-3-yl)propan-1-amine (CID 117120754) is 2-(5-methoxy-1-benzothiophen-3-yl)propan-1-amine.
What is the SMILES notation for 2-(5-methoxy-1-benzothiophen-3-yl)propan-1-amine?
The canonical SMILES for 2-(5-methoxy-1-benzothiophen-3-yl)propan-1-amine is COc1ccc2scc(C(C)CN)c2c1.
What is the InChIKey of 2-(5-methoxy-1-benzothiophen-3-yl)propan-1-amine?
The InChIKey is XDHZPGNYFPHSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-8(6-13)11-7-15-12-4-3-9(14-2)5-10(11)12/h3-5,7-8H,6,13H2,1-2H3.
What are the key properties of 2-(5-methoxy-1-benzothiophen-3-yl)propan-1-amine?
2-(5-methoxy-1-benzothiophen-3-yl)propan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-benzothiophen-3-yl)propan-1-amine is sourced from PubChem (CID 117120754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).