3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethyl-4-fluorobutan-2-amine

C14H20FNS — CID 168763924

IUPAC3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethyl-4-fluorobutan-2-amine
SMILESCCNC(C)C(CF)c1ccc2c(c1)SCC2
InChIInChI=1S/C14H20FNS/c1-3-16-10(2)13(9-15)12-5-4-11-6-7-17-14(11)8-12/h4-5,8,10,13,16H,3,6-7,9H2,1-2H3
InChIKeyQXBNCGGIOXDTBF-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.39
Rot. Bonds5

About 3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethyl-4-fluorobutan-2-amine

3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethyl-4-fluorobutan-2-amine (PubChem CID 168763924) has the molecular formula C14H20FNS and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethyl-4-fluorobutan-2-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethyl-4-fluorobutan-2-amine
PubChem CID168763924
Molecular FormulaC14H20FNS
Molecular Weight253.39 g/mol
Exact Mass253.13
IUPAC Name3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethyl-4-fluorobutan-2-amine
SMILESCCNC(C)C(CF)c1ccc2c(c1)SCC2
InChIInChI=1S/C14H20FNS/c1-3-16-10(2)13(9-15)12-5-4-11-6-7-17-14(11)8-12/h4-5,8,10,13,16H,3,6-7,9H2,1-2H3
InChIKeyQXBNCGGIOXDTBF-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethyl-4-fluorobutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethyl-4-fluorobutan-2-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethyl-4-fluorobutan-2-amine (CID 168763924) is 3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethyl-4-fluorobutan-2-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethyl-4-fluorobutan-2-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethyl-4-fluorobutan-2-amine is CCNC(C)C(CF)c1ccc2c(c1)SCC2.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethyl-4-fluorobutan-2-amine?
The InChIKey is QXBNCGGIOXDTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS/c1-3-16-10(2)13(9-15)12-5-4-11-6-7-17-14(11)8-12/h4-5,8,10,13,16H,3,6-7,9H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethyl-4-fluorobutan-2-amine?
3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethyl-4-fluorobutan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethyl-4-fluorobutan-2-amine is sourced from PubChem (CID 168763924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).