2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]ethanamine

C17H18FNOS — CID 107700163

IUPAC2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)ccc1OCC1CSc2ccccc21
InChIInChI=1S/C17H18FNOS/c18-14-5-6-16(12(9-14)7-8-19)20-10-13-11-21-17-4-2-1-3-15(13)17/h1-6,9,13H,7-8,10-11,19H2
InChIKeyWGOXEYBINSDAMU-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.60
Rot. Bonds5

About 2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]ethanamine

2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]ethanamine (PubChem CID 107700163) 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)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]ethanamine
PubChem CID107700163
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)ccc1OCC1CSc2ccccc21
InChIInChI=1S/C17H18FNOS/c18-14-5-6-16(12(9-14)7-8-19)20-10-13-11-21-17-4-2-1-3-15(13)17/h1-6,9,13H,7-8,10-11,19H2
InChIKeyWGOXEYBINSDAMU-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

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Related Compounds

[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine
CID 79223776
(1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol
CID 79215568
[3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine
CID 79205776
3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403765
3-[(2-iodophenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79220634
3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methylaniline
CID 79223773
3-[[4-(bromomethyl)-2,6-difluorophenoxy]methyl]-2,3-dihydro-1-benzothiophene
CID 79881359
(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine
CID 79223193
3-[(4-ethyl-2-methoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 107667679
[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine
CID 79205890
2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-bromophenyl]ethanamine
CID 66397004
3-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluoroaniline
CID 79223415

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]ethanamine (CID 107700163) is 2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]ethanamine is NCCc1cc(F)ccc1OCC1CSc2ccccc21.
What is the InChIKey of 2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]ethanamine?
The InChIKey is WGOXEYBINSDAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c18-14-5-6-16(12(9-14)7-8-19)20-10-13-11-21-17-4-2-1-3-15(13)17/h1-6,9,13H,7-8,10-11,19H2.
What are the key properties of 2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]ethanamine?
2-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-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)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 107700163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).