1-[5-(1-benzothiophen-5-yl)furan-2-yl]propan-1-amine

C15H15NOS — CID 65474156

IUPAC1-[5-(1-benzothiophen-5-yl)furan-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2ccc3sccc3c2)o1
InChIInChI=1S/C15H15NOS/c1-2-12(16)14-5-4-13(17-14)10-3-6-15-11(9-10)7-8-18-15/h3-9,12H,2,16H2,1H3
InChIKeyIHEYLDSPHMHXFQ-UHFFFAOYSA-N
MW257.36 g/mol
LogP4.57
Rot. Bonds3

About 1-[5-(1-benzothiophen-5-yl)furan-2-yl]propan-1-amine

1-[5-(1-benzothiophen-5-yl)furan-2-yl]propan-1-amine (PubChem CID 65474156) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-[5-(1-benzothiophen-5-yl)furan-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(1-benzothiophen-5-yl)furan-2-yl]propan-1-amine
PubChem CID65474156
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name1-[5-(1-benzothiophen-5-yl)furan-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2ccc3sccc3c2)o1
InChIInChI=1S/C15H15NOS/c1-2-12(16)14-5-4-13(17-14)10-3-6-15-11(9-10)7-8-18-15/h3-9,12H,2,16H2,1H3
InChIKeyIHEYLDSPHMHXFQ-UHFFFAOYSA-N
XLogP4.57
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-benzothiophen-5-yl)furan-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(1-benzothiophen-5-yl)furan-2-yl]propan-1-amine (CID 65474156) is 1-[5-(1-benzothiophen-5-yl)furan-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(1-benzothiophen-5-yl)furan-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(1-benzothiophen-5-yl)furan-2-yl]propan-1-amine is CCC(N)c1ccc(-c2ccc3sccc3c2)o1.
What is the InChIKey of 1-[5-(1-benzothiophen-5-yl)furan-2-yl]propan-1-amine?
The InChIKey is IHEYLDSPHMHXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-2-12(16)14-5-4-13(17-14)10-3-6-15-11(9-10)7-8-18-15/h3-9,12H,2,16H2,1H3.
What are the key properties of 1-[5-(1-benzothiophen-5-yl)furan-2-yl]propan-1-amine?
1-[5-(1-benzothiophen-5-yl)furan-2-yl]propan-1-amine has a molecular weight of 257.36 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-benzothiophen-5-yl)furan-2-yl]propan-1-amine is sourced from PubChem (CID 65474156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).