1-(1-benzothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine

C17H23NOS — CID 104579371

IUPAC1-(1-benzothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
SMILESCC(NCCC1CCCCO1)c1cc2ccccc2s1
InChIInChI=1S/C17H23NOS/c1-13(18-10-9-15-7-4-5-11-19-15)17-12-14-6-2-3-8-16(14)20-17/h2-3,6,8,12-13,15,18H,4-5,7,9-11H2,1H3
InChIKeyJKPNSPXGHYHJFU-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.51
Rot. Bonds5

About 1-(1-benzothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine

1-(1-benzothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine (PubChem CID 104579371) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
PubChem CID104579371
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name1-(1-benzothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
SMILESCC(NCCC1CCCCO1)c1cc2ccccc2s1
InChIInChI=1S/C17H23NOS/c1-13(18-10-9-15-7-4-5-11-19-15)17-12-14-6-2-3-8-16(14)20-17/h2-3,6,8,12-13,15,18H,4-5,7,9-11H2,1H3
InChIKeyJKPNSPXGHYHJFU-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine (CID 104579371) is 1-(1-benzothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine is CC(NCCC1CCCCO1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine?
The InChIKey is JKPNSPXGHYHJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-13(18-10-9-15-7-4-5-11-19-15)17-12-14-6-2-3-8-16(14)20-17/h2-3,6,8,12-13,15,18H,4-5,7,9-11H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine?
1-(1-benzothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine has a molecular weight of 289.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 104579371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).