1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine

C11H12FNS — CID 114979546

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
SMILESCCC(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C11H12FNS/c1-2-9(13)11-5-7-3-4-8(12)6-10(7)14-11/h3-6,9H,2,13H2,1H3
InChIKeyYXHMNWLJUQXPSN-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.45
Rot. Bonds2

About 1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine

1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine (PubChem CID 114979546) has the molecular formula C11H12FNS and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
PubChem CID114979546
Molecular FormulaC11H12FNS
Molecular Weight209.29 g/mol
Exact Mass209.07
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
SMILESCCC(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C11H12FNS/c1-2-9(13)11-5-7-3-4-8(12)6-10(7)14-11/h3-6,9H,2,13H2,1H3
InChIKeyYXHMNWLJUQXPSN-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine
CID 115835449
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine
CID 105017408
1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039458
2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105024539
(4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81104853
1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997058
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylprop-2-en-1-amine
CID 105005309
2-(2-chloro-4-methylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 106867073
2-(4-bromo-2-fluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 115844575
2-(3-bromo-5-fluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105015577
1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 81106993
(6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81115335

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine (CID 114979546) is 1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine is CCC(N)c1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine?
The InChIKey is YXHMNWLJUQXPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNS/c1-2-9(13)11-5-7-3-4-8(12)6-10(7)14-11/h3-6,9H,2,13H2,1H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine?
1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine is sourced from PubChem (CID 114979546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).