1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-2-ylpropan-1-amine

C15H14FNS2 — CID 115860911

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
SMILESNC(CCc1cccs1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H14FNS2/c16-11-4-3-10-8-15(19-14(10)9-11)13(17)6-5-12-2-1-7-18-12/h1-4,7-9,13H,5-6,17H2
InChIKeyLGIJBLUEYXKWEJ-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.73
Rot. Bonds4

About 1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-2-ylpropan-1-amine

1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 115860911) has the molecular formula C15H14FNS2 and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
PubChem CID115860911
Molecular FormulaC15H14FNS2
Molecular Weight291.42 g/mol
Exact Mass291.06
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
SMILESNC(CCc1cccs1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H14FNS2/c16-11-4-3-10-8-15(19-14(10)9-11)13(17)6-5-12-2-1-7-18-12/h1-4,7-9,13H,5-6,17H2
InChIKeyLGIJBLUEYXKWEJ-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63776013
1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 114979546
1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine
CID 115835449
1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039458
1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115861149
1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
CID 79722432
1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115861110
1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine
CID 105142448
1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997058
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
(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)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-2-ylpropan-1-amine (CID 115860911) is 1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-2-ylpropan-1-amine is NC(CCc1cccs1)c1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is LGIJBLUEYXKWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNS2/c16-11-4-3-10-8-15(19-14(10)9-11)13(17)6-5-12-2-1-7-18-12/h1-4,7-9,13H,5-6,17H2.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-2-ylpropan-1-amine?
1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 291.42 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115860911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).