1-(2,4-dimethylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine

C17H18N2S — CID 81144449

IUPAC1-(2,4-dimethylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
SMILESCNC(c1cnc2ccsc2c1)c1ccc(C)cc1C
InChIInChI=1S/C17H18N2S/c1-11-4-5-14(12(2)8-11)17(18-3)13-9-16-15(19-10-13)6-7-20-16/h4-10,17-18H,1-3H3
InChIKeyLRRVTROCRCGMBZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.22
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine

1-(2,4-dimethylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine (PubChem CID 81144449) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
PubChem CID81144449
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name1-(2,4-dimethylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
SMILESCNC(c1cnc2ccsc2c1)c1ccc(C)cc1C
InChIInChI=1S/C17H18N2S/c1-11-4-5-14(12(2)8-11)17(18-3)13-9-16-15(19-10-13)6-7-20-16/h4-10,17-18H,1-3H3
InChIKeyLRRVTROCRCGMBZ-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-5-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81143896
1-(2,4-difluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81143030
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
[(2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]hydrazine
CID 105256326
2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829551
N-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143698
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
N-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144346
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 102647907

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine (CID 81144449) is 1-(2,4-dimethylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine is CNC(c1cnc2ccsc2c1)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine?
The InChIKey is LRRVTROCRCGMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-11-4-5-14(12(2)8-11)17(18-3)13-9-16-15(19-10-13)6-7-20-16/h4-10,17-18H,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine?
1-(2,4-dimethylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine has a molecular weight of 282.41 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine is sourced from PubChem (CID 81144449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).