[4-fluoro-3-(pentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine

C15H20FNOS — CID 102986878

IUPAC[4-fluoro-3-(pentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine
SMILESCCCC(C)OCc1c(CN)sc2cccc(F)c12
InChIInChI=1S/C15H20FNOS/c1-3-5-10(2)18-9-11-14(8-17)19-13-7-4-6-12(16)15(11)13/h4,6-7,10H,3,5,8-9,17H2,1-2H3
InChIKeyBMLLUFFOQFHKGI-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.20
Rot. Bonds6

About [4-fluoro-3-(pentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine

[4-fluoro-3-(pentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine (PubChem CID 102986878) has the molecular formula C15H20FNOS and a molecular weight of 281.40 g/mol. Its IUPAC name is [4-fluoro-3-(pentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-(pentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine
PubChem CID102986878
Molecular FormulaC15H20FNOS
Molecular Weight281.40 g/mol
Exact Mass281.12
IUPAC Name[4-fluoro-3-(pentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine
SMILESCCCC(C)OCc1c(CN)sc2cccc(F)c12
InChIInChI=1S/C15H20FNOS/c1-3-5-10(2)18-9-11-14(8-17)19-13-7-4-6-12(16)15(11)13/h4,6-7,10H,3,5,8-9,17H2,1-2H3
InChIKeyBMLLUFFOQFHKGI-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-fluoro-3-(4-methylpentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62443526
[4-fluoro-3-(propan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62458040
[4-fluoro-3-(propoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62452061
[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62443877
[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1-benzothiophen-2-yl]methanamine
CID 115942816
[4-fluoro-3-(thiophen-2-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62485253
[4-fluoro-3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzothiophen-2-yl]methanamine
CID 62442811
N-[[4-fluoro-3-(propan-2-yloxymethyl)-1-benzothiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 62455770
N-[[2-(aminomethyl)-4-fluoro-1-benzothiophen-3-yl]methyl]-N,3,3-trimethylbutan-2-amine
CID 62425959
3-(butan-2-yloxymethyl)-4-fluoro-1-benzothiophene-2-carbohydrazide
CID 63570522
[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-4-fluoro-1-benzothiophen-2-yl]methanamine
CID 79183571
[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoro-1-benzothiophen-2-yl]methanamine
CID 62448704

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(pentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine?
The IUPAC name of [4-fluoro-3-(pentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine (CID 102986878) is [4-fluoro-3-(pentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine.
What is the SMILES notation for [4-fluoro-3-(pentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine?
The canonical SMILES for [4-fluoro-3-(pentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine is CCCC(C)OCc1c(CN)sc2cccc(F)c12.
What is the InChIKey of [4-fluoro-3-(pentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine?
The InChIKey is BMLLUFFOQFHKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNOS/c1-3-5-10(2)18-9-11-14(8-17)19-13-7-4-6-12(16)15(11)13/h4,6-7,10H,3,5,8-9,17H2,1-2H3.
What are the key properties of [4-fluoro-3-(pentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine?
[4-fluoro-3-(pentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine has a molecular weight of 281.40 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(pentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine is sourced from PubChem (CID 102986878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).