1-(5-fluoro-1-benzothiophen-2-yl)-2-methyl-N-propylpentan-1-amine

C17H24FNS — CID 107893741

IUPAC1-(5-fluoro-1-benzothiophen-2-yl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1cc2cc(F)ccc2s1)C(C)CCC
InChIInChI=1S/C17H24FNS/c1-4-6-12(3)17(19-9-5-2)16-11-13-10-14(18)7-8-15(13)20-16/h7-8,10-12,17,19H,4-6,9H2,1-3H3
InChIKeyLSCAYRDSONEBIV-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.52
Rot. Bonds7

About 1-(5-fluoro-1-benzothiophen-2-yl)-2-methyl-N-propylpentan-1-amine

1-(5-fluoro-1-benzothiophen-2-yl)-2-methyl-N-propylpentan-1-amine (PubChem CID 107893741) has the molecular formula C17H24FNS and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzothiophen-2-yl)-2-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzothiophen-2-yl)-2-methyl-N-propylpentan-1-amine
PubChem CID107893741
Molecular FormulaC17H24FNS
Molecular Weight293.45 g/mol
Exact Mass293.16
IUPAC Name1-(5-fluoro-1-benzothiophen-2-yl)-2-methyl-N-propylpentan-1-amine
SMILESCCCNC(c1cc2cc(F)ccc2s1)C(C)CCC
InChIInChI=1S/C17H24FNS/c1-4-6-12(3)17(19-9-5-2)16-11-13-10-14(18)7-8-15(13)20-16/h7-8,10-12,17,19H,4-6,9H2,1-3H3
InChIKeyLSCAYRDSONEBIV-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 105396931
1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 114013602
[1-(5-fluoro-1-benzothiophen-2-yl)-4-methoxy-2-methylbutyl]hydrazine
CID 105337985
N-[2-cyclopentyl-1-(5-fluoro-1-benzothiophen-2-yl)ethyl]propan-1-amine
CID 105138906
1-(5-fluoro-1-benzothiophen-2-yl)nonan-1-ol
CID 105085760
1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine
CID 114013577
1-(5-fluoro-1-benzothiophen-2-yl)hexan-1-amine
CID 105129507
(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268334
N-ethyl-4,4,4-trifluoro-1-(5-fluoro-1-benzothiophen-2-yl)butan-1-amine
CID 105156465
N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 19846311
2-(5-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117121247
1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine
CID 115778262

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)-2-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)-2-methyl-N-propylpentan-1-amine (CID 107893741) is 1-(5-fluoro-1-benzothiophen-2-yl)-2-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(5-fluoro-1-benzothiophen-2-yl)-2-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(5-fluoro-1-benzothiophen-2-yl)-2-methyl-N-propylpentan-1-amine is CCCNC(c1cc2cc(F)ccc2s1)C(C)CCC.
What is the InChIKey of 1-(5-fluoro-1-benzothiophen-2-yl)-2-methyl-N-propylpentan-1-amine?
The InChIKey is LSCAYRDSONEBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNS/c1-4-6-12(3)17(19-9-5-2)16-11-13-10-14(18)7-8-15(13)20-16/h7-8,10-12,17,19H,4-6,9H2,1-3H3.
What are the key properties of 1-(5-fluoro-1-benzothiophen-2-yl)-2-methyl-N-propylpentan-1-amine?
1-(5-fluoro-1-benzothiophen-2-yl)-2-methyl-N-propylpentan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 5.52, 7 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-2-yl)-2-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 107893741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).