2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine

C15H14FNS — CID 105087837

IUPAC2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1)C1Cc2ccccc2S1
InChIInChI=1S/C15H14FNS/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)18-14/h1-8,14-15H,9,17H2
InChIKeyLPMWFCYKZSOUCO-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.54
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine

2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine (PubChem CID 105087837) has the molecular formula C15H14FNS and a molecular weight of 259.35 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine
PubChem CID105087837
Molecular FormulaC15H14FNS
Molecular Weight259.35 g/mol
Exact Mass259.08
IUPAC Name2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1)C1Cc2ccccc2S1
InChIInChI=1S/C15H14FNS/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)18-14/h1-8,14-15H,9,17H2
InChIKeyLPMWFCYKZSOUCO-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 105145502
2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine
CID 105144289
2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine
CID 105096694
2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine
CID 105098031
2,3-dihydro-1-benzothiophen-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 105146408
N-[2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methyl]ethanamine
CID 105088110
2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 105154978
cyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 106657385
2-[3-chloro-2-(4-fluorophenyl)propyl]-2,3-dihydro-1-benzothiophene
CID 79438075
[2,3-dihydro-1-benzothiophen-2-yl(phenyl)methyl]hydrazine
CID 105282926
2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-1-benzofuran-2-yl)methanol
CID 105129629
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 105137669

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine (CID 105087837) is 2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine is NC(c1ccc(F)cc1)C1Cc2ccccc2S1.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine?
The InChIKey is LPMWFCYKZSOUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNS/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)18-14/h1-8,14-15H,9,17H2.
What are the key properties of 2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine?
2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine has a molecular weight of 259.35 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine is sourced from PubChem (CID 105087837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).