1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine

C17H18FNS — CID 105090430

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)C1Cc2ccccc2S1
InChIInChI=1S/C17H18FNS/c1-19-15(10-12-6-2-4-8-14(12)18)17-11-13-7-3-5-9-16(13)20-17/h2-9,15,17,19H,10-11H2,1H3
InChIKeyNTZSZMGEWNNFOE-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.67
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine

1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine (PubChem CID 105090430) has the molecular formula C17H18FNS and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine
PubChem CID105090430
Molecular FormulaC17H18FNS
Molecular Weight287.40 g/mol
Exact Mass287.11
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)C1Cc2ccccc2S1
InChIInChI=1S/C17H18FNS/c1-19-15(10-12-6-2-4-8-14(12)18)17-11-13-7-3-5-9-16(13)20-17/h2-9,15,17,19H,10-11H2,1H3
InChIKeyNTZSZMGEWNNFOE-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine
CID 103053312
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 105079050
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpent-3-yn-1-amine
CID 105112708
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine
CID 105130052
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 105114270
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105089674
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105167273
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 105137669
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine
CID 105180439
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine
CID 105078795
2-(2-fluorophenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107179552
[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methoxyethyl]hydrazine
CID 105321616

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine (CID 105090430) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine is CNC(Cc1ccccc1F)C1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine?
The InChIKey is NTZSZMGEWNNFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNS/c1-19-15(10-12-6-2-4-8-14(12)18)17-11-13-7-3-5-9-16(13)20-17/h2-9,15,17,19H,10-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine has a molecular weight of 287.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 105090430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).