1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine

C17H16FNOS — CID 105093655

IUPAC1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc2cc(F)ccc2s1)c1ccccc1OC
InChIInChI=1S/C17H16FNOS/c1-19-17(13-5-3-4-6-14(13)20-2)16-10-11-9-12(18)7-8-15(11)21-16/h3-10,17,19H,1-2H3
InChIKeyIOQOZWVGFRUUMN-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.36
Rot. Bonds4

About 1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine

1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine (PubChem CID 105093655) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
PubChem CID105093655
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC Name1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc2cc(F)ccc2s1)c1ccccc1OC
InChIInChI=1S/C17H16FNOS/c1-19-17(13-5-3-4-6-14(13)20-2)16-10-11-9-12(18)7-8-15(11)21-16/h3-10,17,19H,1-2H3
InChIKeyIOQOZWVGFRUUMN-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105396900
1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105143264
1-(2-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 115801543
1-(4-bromo-5-methylthiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 102827334
N-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine
CID 105099912
1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 105166566
1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 115793404
1-(3-chlorothiophen-2-yl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 107361879
1-(2-chloro-5-fluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 105397335
1-(2-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43483471
1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852529
1-(2-methoxyphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 115793274

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine (CID 105093655) is 1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine is CNC(c1cc2cc(F)ccc2s1)c1ccccc1OC.
What is the InChIKey of 1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine?
The InChIKey is IOQOZWVGFRUUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c1-19-17(13-5-3-4-6-14(13)20-2)16-10-11-9-12(18)7-8-15(11)21-16/h3-10,17,19H,1-2H3.
What are the key properties of 1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine?
1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine has a molecular weight of 301.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzothiophen-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105093655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).