1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-2-fluorophenyl]ethanamine

C17H18FNOS — CID 107716339

IUPAC1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-2-fluorophenyl]ethanamine
SMILESCC(N)c1ccc(OCC2CSc3ccccc32)cc1F
InChIInChI=1S/C17H18FNOS/c1-11(19)14-7-6-13(8-16(14)18)20-9-12-10-21-17-5-3-2-4-15(12)17/h2-8,11-12H,9-10,19H2,1H3
InChIKeyNSAIXBYGKKCVKP-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.11
Rot. Bonds4

About 1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-2-fluorophenyl]ethanamine

1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-2-fluorophenyl]ethanamine (PubChem CID 107716339) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-2-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-2-fluorophenyl]ethanamine
PubChem CID107716339
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-2-fluorophenyl]ethanamine
SMILESCC(N)c1ccc(OCC2CSc3ccccc32)cc1F
InChIInChI=1S/C17H18FNOS/c1-11(19)14-7-6-13(8-16(14)18)20-9-12-10-21-17-5-3-2-4-15(12)17/h2-8,11-12H,9-10,19H2,1H3
InChIKeyNSAIXBYGKKCVKP-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine
CID 79223193
1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine
CID 107716051
1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine
CID 107715743
3-[(4-methylsulfanylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403476
(1R)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-fluorophenyl]ethanol
CID 79215568
1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078
(1R)-1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-2-fluorophenyl]ethanamine
CID 107718132
3-[[4-(bromomethyl)phenoxy]methyl]-2,3-dihydro-1-benzothiophene
CID 79220646
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
7-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)quinoline
CID 107314478
3-[(3-methylsulfonylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79407203
3-[[4-(bromomethyl)-2,6-difluorophenoxy]methyl]-2,3-dihydro-1-benzothiophene
CID 79881359

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-2-fluorophenyl]ethanamine?
The IUPAC name of 1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-2-fluorophenyl]ethanamine (CID 107716339) is 1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-2-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-2-fluorophenyl]ethanamine?
The canonical SMILES for 1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-2-fluorophenyl]ethanamine is CC(N)c1ccc(OCC2CSc3ccccc32)cc1F.
What is the InChIKey of 1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-2-fluorophenyl]ethanamine?
The InChIKey is NSAIXBYGKKCVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-11(19)14-7-6-13(8-16(14)18)20-9-12-10-21-17-5-3-2-4-15(12)17/h2-8,11-12H,9-10,19H2,1H3.
What are the key properties of 1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-2-fluorophenyl]ethanamine?
1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-2-fluorophenyl]ethanamine has a molecular weight of 303.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-2-fluorophenyl]ethanamine is sourced from PubChem (CID 107716339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).