N,N-diethyl-2-[2-(6-fluoro-1-benzothiophen-7-yl)ethoxy]ethanamine

C16H22FNOS — CID 22666279

IUPACN,N-diethyl-2-[2-(6-fluoro-1-benzothiophen-7-yl)ethoxy]ethanamine
SMILESCCN(CC)CCOCCc1c(F)ccc2ccsc12
InChIInChI=1S/C16H22FNOS/c1-3-18(4-2)9-11-19-10-7-14-15(17)6-5-13-8-12-20-16(13)14/h5-6,8,12H,3-4,7,9-11H2,1-2H3
InChIKeyWBWOWCWSUMQMSW-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.94
Rot. Bonds8

About N,N-diethyl-2-[2-(6-fluoro-1-benzothiophen-7-yl)ethoxy]ethanamine

N,N-diethyl-2-[2-(6-fluoro-1-benzothiophen-7-yl)ethoxy]ethanamine (PubChem CID 22666279) has the molecular formula C16H22FNOS and a molecular weight of 295.42 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(6-fluoro-1-benzothiophen-7-yl)ethoxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(6-fluoro-1-benzothiophen-7-yl)ethoxy]ethanamine
PubChem CID22666279
Molecular FormulaC16H22FNOS
Molecular Weight295.42 g/mol
Exact Mass295.14
IUPAC NameN,N-diethyl-2-[2-(6-fluoro-1-benzothiophen-7-yl)ethoxy]ethanamine
SMILESCCN(CC)CCOCCc1c(F)ccc2ccsc12
InChIInChI=1S/C16H22FNOS/c1-3-18(4-2)9-11-19-10-7-14-15(17)6-5-13-8-12-20-16(13)14/h5-6,8,12H,3-4,7,9-11H2,1-2H3
InChIKeyWBWOWCWSUMQMSW-UHFFFAOYSA-N
XLogP3.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(6-fluoro-1-benzothiophen-7-yl)ethoxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[2-(6-fluoro-1-benzothiophen-7-yl)ethoxy]ethanamine (CID 22666279) is N,N-diethyl-2-[2-(6-fluoro-1-benzothiophen-7-yl)ethoxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[2-(6-fluoro-1-benzothiophen-7-yl)ethoxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[2-(6-fluoro-1-benzothiophen-7-yl)ethoxy]ethanamine is CCN(CC)CCOCCc1c(F)ccc2ccsc12.
What is the InChIKey of N,N-diethyl-2-[2-(6-fluoro-1-benzothiophen-7-yl)ethoxy]ethanamine?
The InChIKey is WBWOWCWSUMQMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNOS/c1-3-18(4-2)9-11-19-10-7-14-15(17)6-5-13-8-12-20-16(13)14/h5-6,8,12H,3-4,7,9-11H2,1-2H3.
What are the key properties of N,N-diethyl-2-[2-(6-fluoro-1-benzothiophen-7-yl)ethoxy]ethanamine?
N,N-diethyl-2-[2-(6-fluoro-1-benzothiophen-7-yl)ethoxy]ethanamine has a molecular weight of 295.42 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(6-fluoro-1-benzothiophen-7-yl)ethoxy]ethanamine is sourced from PubChem (CID 22666279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).