2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine

C16H15F2NS — CID 105137669

IUPAC2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
SMILESNC(Cc1cccc(F)c1F)C1Cc2ccccc2S1
InChIInChI=1S/C16H15F2NS/c17-12-6-3-5-11(16(12)18)8-13(19)15-9-10-4-1-2-7-14(10)20-15/h1-7,13,15H,8-9,19H2
InChIKeyVZSVHTJJIMUWLF-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.55
Rot. Bonds3

About 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine

2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine (PubChem CID 105137669) has the molecular formula C16H15F2NS and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
PubChem CID105137669
Molecular FormulaC16H15F2NS
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
SMILESNC(Cc1cccc(F)c1F)C1Cc2ccccc2S1
InChIInChI=1S/C16H15F2NS/c17-12-6-3-5-11(16(12)18)8-13(19)15-9-10-4-1-2-7-14(10)20-15/h1-7,13,15H,8-9,19H2
InChIKeyVZSVHTJJIMUWLF-UHFFFAOYSA-N
XLogP3.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105089674
2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 105111246
2-(5-chloro-2-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 105137284
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 105090430
2,3-dihydro-1-benzothiophen-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 105146408
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 105121936
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105169029
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(furan-2-yl)ethanamine
CID 105177243
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 105152342
2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105086657
2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine
CID 105087837
(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 105145502

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine (CID 105137669) is 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine is NC(Cc1cccc(F)c1F)C1Cc2ccccc2S1.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is VZSVHTJJIMUWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NS/c17-12-6-3-5-11(16(12)18)8-13(19)15-9-10-4-1-2-7-14(10)20-15/h1-7,13,15H,8-9,19H2.
What are the key properties of 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 291.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 105137669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).