1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine

C17H17FN2S — CID 81115596

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1ccc(C)cn1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C17H17FN2S/c1-11-3-6-14(20-10-11)9-15(19-2)17-7-12-4-5-13(18)8-16(12)21-17/h3-8,10,15,19H,9H2,1-2H3
InChIKeyCVPRJEJTBYOPEU-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.25
Rot. Bonds4

About 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine

1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine (PubChem CID 81115596) has the molecular formula C17H17FN2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
PubChem CID81115596
Molecular FormulaC17H17FN2S
Molecular Weight300.40 g/mol
Exact Mass300.11
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1ccc(C)cn1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C17H17FN2S/c1-11-3-6-14(20-10-11)9-15(19-2)17-7-12-4-5-13(18)8-16(12)21-17/h3-8,10,15,19H,9H2,1-2H3
InChIKeyCVPRJEJTBYOPEU-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447132
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030725
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-pyridin-3-ylethanamine
CID 105034716
2-cyclobutyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 115863822
2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 115847440
N-methyl-2-(5-methyl-2-pyridinyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 66447123
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81261123
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyloctan-1-amine
CID 115832398
1-(6-fluoro-1-benzothiophen-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 105055088
1-(2,6-difluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446542
1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852529
1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 105087174

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine (CID 81115596) is 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine is CNC(Cc1ccc(C)cn1)c1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine?
The InChIKey is CVPRJEJTBYOPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2S/c1-11-3-6-14(20-10-11)9-15(19-2)17-7-12-4-5-13(18)8-16(12)21-17/h3-8,10,15,19H,9H2,1-2H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine?
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine has a molecular weight of 300.40 g/mol, XLogP of 4.25, 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)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 81115596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).