1-(5-fluoro-1-benzothiophen-3-yl)-N-methylethanamine

C11H12FNS — CID 117195555

IUPAC1-(5-fluoro-1-benzothiophen-3-yl)-N-methylethanamine
SMILESCNC(C)c1csc2ccc(F)cc12
InChIInChI=1S/C11H12FNS/c1-7(13-2)10-6-14-11-4-3-8(12)5-9(10)11/h3-7,13H,1-2H3
InChIKeyCKHFMOWCPWPVED-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.32
Rot. Bonds2

About 1-(5-fluoro-1-benzothiophen-3-yl)-N-methylethanamine

1-(5-fluoro-1-benzothiophen-3-yl)-N-methylethanamine (PubChem CID 117195555) has the molecular formula C11H12FNS and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzothiophen-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzothiophen-3-yl)-N-methylethanamine
PubChem CID117195555
Molecular FormulaC11H12FNS
Molecular Weight209.29 g/mol
Exact Mass209.07
IUPAC Name1-(5-fluoro-1-benzothiophen-3-yl)-N-methylethanamine
SMILESCNC(C)c1csc2ccc(F)cc12
InChIInChI=1S/C11H12FNS/c1-7(13-2)10-6-14-11-4-3-8(12)5-9(10)11/h3-7,13H,1-2H3
InChIKeyCKHFMOWCPWPVED-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-1-benzothiophen-3-yl)ethanamine
CID 117120717
1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049999
1-[2-(2,5-difluorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine
CID 43519080
3-(1-fluoroethyl)-1-benzothiophen-5-ol
CID 84666921
1-[4-fluoro-2-(3-methylthiophen-2-yl)phenyl]-N-methylethanamine
CID 114068567
5-methyl-3-propan-2-yl-1-benzothiophene
CID 118151187
2-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]sulfanylpyrimidine-4,6-diamine
CID 61295849
1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine
CID 43286131
1-(5-fluoro-2H-indazol-3-yl)-N-methylethanamine
CID 83907515
1-[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine
CID 60877704
N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-1-(3,4-difluorophenyl)ethanamine
CID 166343544
4-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 61413072

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzothiophen-3-yl)-N-methylethanamine?
The IUPAC name of 1-(5-fluoro-1-benzothiophen-3-yl)-N-methylethanamine (CID 117195555) is 1-(5-fluoro-1-benzothiophen-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(5-fluoro-1-benzothiophen-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(5-fluoro-1-benzothiophen-3-yl)-N-methylethanamine is CNC(C)c1csc2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-1-benzothiophen-3-yl)-N-methylethanamine?
The InChIKey is CKHFMOWCPWPVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNS/c1-7(13-2)10-6-14-11-4-3-8(12)5-9(10)11/h3-7,13H,1-2H3.
What are the key properties of 1-(5-fluoro-1-benzothiophen-3-yl)-N-methylethanamine?
1-(5-fluoro-1-benzothiophen-3-yl)-N-methylethanamine has a molecular weight of 209.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzothiophen-3-yl)-N-methylethanamine is sourced from PubChem (CID 117195555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).