N-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine

C18H20N2S — CID 81153511

IUPACN-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
SMILESCCNC(c1cnc2ccsc2c1)c1cc(C)ccc1C
InChIInChI=1S/C18H20N2S/c1-4-19-18(15-9-12(2)5-6-13(15)3)14-10-17-16(20-11-14)7-8-21-17/h5-11,18-19H,4H2,1-3H3
InChIKeyQCPJUEVUHYAIHT-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.61
Rot. Bonds4

About N-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine

N-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine (PubChem CID 81153511) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
PubChem CID81153511
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC NameN-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
SMILESCCNC(c1cnc2ccsc2c1)c1cc(C)ccc1C
InChIInChI=1S/C18H20N2S/c1-4-19-18(15-9-12(2)5-6-13(15)3)14-10-17-16(20-11-14)7-8-21-17/h5-11,18-19H,4H2,1-3H3
InChIKeyQCPJUEVUHYAIHT-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethylamino(thieno[3,2-b]pyridin-6-yl)methyl]pyridin-4-amine
CID 81143213
N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81143315
1-(2,4-dimethylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144449
N-[(2,5-dimethylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 54978094
1-(2-fluoro-5-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81143896
N-[(5-fluoro-3-pyridinyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81144068
N-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 114659039
2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829551
N-ethyl-3-methyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine
CID 81143603
N-[(2,5-dimethylphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487964
[(2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]hydrazine
CID 105256326
N-[thieno[3,2-b]pyridin-6-yl(thiophen-3-yl)methyl]propan-1-amine
CID 81143136

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine?
The IUPAC name of N-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine (CID 81153511) is N-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine is CCNC(c1cnc2ccsc2c1)c1cc(C)ccc1C.
What is the InChIKey of N-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine?
The InChIKey is QCPJUEVUHYAIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-4-19-18(15-9-12(2)5-6-13(15)3)14-10-17-16(20-11-14)7-8-21-17/h5-11,18-19H,4H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine?
N-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine has a molecular weight of 296.44 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine is sourced from PubChem (CID 81153511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).