1-(2-fluoro-5-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine

C16H15FN2S — CID 81143896

IUPAC1-(2-fluoro-5-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
SMILESCNC(c1cnc2ccsc2c1)c1cc(C)ccc1F
InChIInChI=1S/C16H15FN2S/c1-10-3-4-13(17)12(7-10)16(18-2)11-8-15-14(19-9-11)5-6-20-15/h3-9,16,18H,1-2H3
InChIKeyUULHICBFLRDJKM-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.05
Rot. Bonds3

About 1-(2-fluoro-5-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine

1-(2-fluoro-5-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine (PubChem CID 81143896) has the molecular formula C16H15FN2S and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
PubChem CID81143896
Molecular FormulaC16H15FN2S
Molecular Weight286.38 g/mol
Exact Mass286.09
IUPAC Name1-(2-fluoro-5-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
SMILESCNC(c1cnc2ccsc2c1)c1cc(C)ccc1F
InChIInChI=1S/C16H15FN2S/c1-10-3-4-13(17)12(7-10)16(18-2)11-8-15-14(19-9-11)5-6-20-15/h3-9,16,18H,1-2H3
InChIKeyUULHICBFLRDJKM-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144449
1-(2,4-difluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81143030
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 55083404
2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829176
N-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81153511
1-(4-bromothiophen-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81143794
N-methyl-1-thieno[3,2-b]pyridin-6-yl-1-thiophen-2-ylmethanamine
CID 81143417
[(4-fluoro-3-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]hydrazine
CID 105256367
N-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143698
1-(4-chlorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55134651
1-(5-chlorothiophen-2-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144357
1-[(1E)-cycloocten-1-yl]-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 106654066

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine (CID 81143896) is 1-(2-fluoro-5-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine is CNC(c1cnc2ccsc2c1)c1cc(C)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine?
The InChIKey is UULHICBFLRDJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2S/c1-10-3-4-13(17)12(7-10)16(18-2)11-8-15-14(19-9-11)5-6-20-15/h3-9,16,18H,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine?
1-(2-fluoro-5-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine has a molecular weight of 286.38 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine is sourced from PubChem (CID 81143896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).