2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine

C11H12FNS — CID 83909343

IUPAC2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine
SMILESCc1sc2ccc(F)cc2c1CCN
InChIInChI=1S/C11H12FNS/c1-7-9(4-5-13)10-6-8(12)2-3-11(10)14-7/h2-3,6H,4-5,13H2,1H3
InChIKeyRIXLZYUQUMNMNP-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.85
Rot. Bonds2

About 2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine

2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine (PubChem CID 83909343) has the molecular formula C11H12FNS and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine
PubChem CID83909343
Molecular FormulaC11H12FNS
Molecular Weight209.29 g/mol
Exact Mass209.07
IUPAC Name2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine
SMILESCc1sc2ccc(F)cc2c1CCN
InChIInChI=1S/C11H12FNS/c1-7-9(4-5-13)10-6-8(12)2-3-11(10)14-7/h2-3,6H,4-5,13H2,1H3
InChIKeyRIXLZYUQUMNMNP-UHFFFAOYSA-N
XLogP2.85
TPSA26.02 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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine
CID 83912557
3-ethyl-5-fluoro-1-benzothiophene-2-carbaldehyde
CID 130814481
2-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 55253918
2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene
CID 130788515
3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine
CID 43305639
3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene
CID 130951803
2-(chloromethyl)-5-fluoro-1-benzothiophene-3-thiol
CID 131076303
2-(bromomethyl)-3,5-difluoro-1-benzothiophene
CID 131223463
(6-fluoro-3-propyl-1-benzothiophen-2-yl)methanamine
CID 102972343
2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine
CID 84632127
2-(2,4,6-trifluorophenyl)ethanamine
CID 10631080
3-(2-aminoethyl)-5-fluoro-7-methyl-1-benzothiophene-2-carbonitrile;hydrochloride
CID 135380478

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine?
The IUPAC name of 2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine (CID 83909343) is 2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine is Cc1sc2ccc(F)cc2c1CCN.
What is the InChIKey of 2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine?
The InChIKey is RIXLZYUQUMNMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNS/c1-7-9(4-5-13)10-6-8(12)2-3-11(10)14-7/h2-3,6H,4-5,13H2,1H3.
What are the key properties of 2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine?
2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine is sourced from PubChem (CID 83909343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).