2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorophenyl]ethanamine

C17H18FNOS — CID 115957896

IUPAC2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorophenyl]ethanamine
SMILESNCCc1cccc(F)c1OCC1CSc2ccccc21
InChIInChI=1S/C17H18FNOS/c18-15-6-3-4-12(8-9-19)17(15)20-10-13-11-21-16-7-2-1-5-14(13)16/h1-7,13H,8-11,19H2
InChIKeyBGDMCNSELBJIMK-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.60
Rot. Bonds5

About 2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorophenyl]ethanamine

2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorophenyl]ethanamine (PubChem CID 115957896) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorophenyl]ethanamine
PubChem CID115957896
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorophenyl]ethanamine
SMILESNCCc1cccc(F)c1OCC1CSc2ccccc21
InChIInChI=1S/C17H18FNOS/c18-15-6-3-4-12(8-9-19)17(15)20-10-13-11-21-16-7-2-1-5-14(13)16/h1-7,13H,8-11,19H2
InChIKeyBGDMCNSELBJIMK-UHFFFAOYSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorophenyl]ethanamine 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 2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorophenyl]ethanamine (CID 115957896) is 2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorophenyl]ethanamine is NCCc1cccc(F)c1OCC1CSc2ccccc21.
What is the InChIKey of 2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorophenyl]ethanamine?
The InChIKey is BGDMCNSELBJIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c18-15-6-3-4-12(8-9-19)17(15)20-10-13-11-21-16-7-2-1-5-14(13)16/h1-7,13H,8-11,19H2.
What are the key properties of 2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorophenyl]ethanamine?
2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorophenyl]ethanamine has a molecular weight of 303.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 115957896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).