[4-fluoro-3-(thiophen-2-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine

C15H14FNOS2 — CID 62485253

IUPAC[4-fluoro-3-(thiophen-2-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine
SMILESNCc1sc2cccc(F)c2c1COCc1cccs1
InChIInChI=1S/C15H14FNOS2/c16-12-4-1-5-13-15(12)11(14(7-17)20-13)9-18-8-10-3-2-6-19-10/h1-6H,7-9,17H2
InChIKeySLXLQOGOCIKQBZ-UHFFFAOYSA-N
MW307.42 g/mol
LogP4.28
Rot. Bonds5

About [4-fluoro-3-(thiophen-2-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine

[4-fluoro-3-(thiophen-2-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine (PubChem CID 62485253) has the molecular formula C15H14FNOS2 and a molecular weight of 307.42 g/mol. Its IUPAC name is [4-fluoro-3-(thiophen-2-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-(thiophen-2-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine
PubChem CID62485253
Molecular FormulaC15H14FNOS2
Molecular Weight307.42 g/mol
Exact Mass307.05
IUPAC Name[4-fluoro-3-(thiophen-2-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine
SMILESNCc1sc2cccc(F)c2c1COCc1cccs1
InChIInChI=1S/C15H14FNOS2/c16-12-4-1-5-13-15(12)11(14(7-17)20-13)9-18-8-10-3-2-6-19-10/h1-6H,7-9,17H2
InChIKeySLXLQOGOCIKQBZ-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62443877
[4-fluoro-3-(propoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62452061
[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1-benzothiophen-2-yl]methanamine
CID 115942816
[4-fluoro-3-(propan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62458040
[4-fluoro-3-(4-methylpentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62443526
[4-fluoro-3-(pentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine
CID 102986878
[4-fluoro-3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzothiophen-2-yl]methanamine
CID 62442811
N-[[3-(ethoxymethyl)-4-fluoro-1-benzothiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 62445056
2-[(3-bromo-2,6-difluorophenyl)methoxymethyl]thiophene
CID 106269960
[4-fluoro-3-(1,2,4-triazol-1-ylmethyl)-1-benzothiophen-2-yl]methanamine
CID 62448679
1-[3-(2,2-difluoroethoxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine
CID 82006651
1-[4-fluoro-3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 62457697

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(thiophen-2-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine?
The IUPAC name of [4-fluoro-3-(thiophen-2-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine (CID 62485253) is [4-fluoro-3-(thiophen-2-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine.
What is the SMILES notation for [4-fluoro-3-(thiophen-2-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine?
The canonical SMILES for [4-fluoro-3-(thiophen-2-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine is NCc1sc2cccc(F)c2c1COCc1cccs1.
What is the InChIKey of [4-fluoro-3-(thiophen-2-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine?
The InChIKey is SLXLQOGOCIKQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS2/c16-12-4-1-5-13-15(12)11(14(7-17)20-13)9-18-8-10-3-2-6-19-10/h1-6H,7-9,17H2.
What are the key properties of [4-fluoro-3-(thiophen-2-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine?
[4-fluoro-3-(thiophen-2-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine has a molecular weight of 307.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(thiophen-2-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine is sourced from PubChem (CID 62485253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).