(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine

C10H10FNS — CID 55268334

IUPAC(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
SMILESC[C@H](N)c1cc2cc(F)ccc2s1
InChIInChI=1S/C10H10FNS/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-6H,12H2,1H3/t6-/m0/s1
InChIKeyVWZRQXBKTGFEMT-LURJTMIESA-N
MW195.26 g/mol
LogP3.06
Rot. Bonds1

About (1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine

(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine (PubChem CID 55268334) has the molecular formula C10H10FNS and a molecular weight of 195.26 g/mol. Its IUPAC name is (1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
PubChem CID55268334
Molecular FormulaC10H10FNS
Molecular Weight195.26 g/mol
Exact Mass195.05
IUPAC Name(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
SMILESC[C@H](N)c1cc2cc(F)ccc2s1
InChIInChI=1S/C10H10FNS/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-6H,12H2,1H3/t6-/m0/s1
InChIKeyVWZRQXBKTGFEMT-LURJTMIESA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
(3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine
CID 105141971
N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 19846311
2-(5-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117121247
(5-fluoro-1-benzothiophen-2-yl)-phenylmethanamine
CID 105083659
1-(5-fluoro-1-benzothiophen-2-yl)hexan-1-amine
CID 105129507
[1-(5-fluoro-1-benzothiophen-2-yl)-3-methylbutyl]hydrazine
CID 105282766
(5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 105148552
(5-fluoro-1-benzothiophen-2-yl)-(4-propylphenyl)methanamine
CID 105144310
[1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine
CID 105337985
(5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol
CID 105078220
1-(7-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268595

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of (1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine (CID 55268334) is (1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for (1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine is C[C@H](N)c1cc2cc(F)ccc2s1.
What is the InChIKey of (1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is VWZRQXBKTGFEMT-LURJTMIESA-N. The full InChI is InChI=1S/C10H10FNS/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-6H,12H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine?
(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 195.26 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 55268334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).