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

C17H18N2S — CID 81143698

IUPACN-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cnc2ccsc2c1
InChIInChI=1S/C17H18N2S/c1-12-3-5-13(6-4-12)9-16(18-2)14-10-17-15(19-11-14)7-8-20-17/h3-8,10-11,16,18H,9H2,1-2H3
InChIKeySNMHVEAHKMQWOU-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.11
Rot. Bonds4

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

N-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 81143698) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID81143698
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cnc2ccsc2c1
InChIInChI=1S/C17H18N2S/c1-12-3-5-13(6-4-12)9-16(18-2)14-10-17-15(19-11-14)7-8-20-17/h3-8,10-11,16,18H,9H2,1-2H3
InChIKeySNMHVEAHKMQWOU-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143973
2-(4-bromophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143696
2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81144150
2-(3-chloro-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 103040348
N-methyl-2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143207
N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64828768
3-[2-(methylamino)-2-thieno[3,2-b]pyridin-6-ylethyl]pyridin-2-amine
CID 81143119
N-methyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-3-ylpropan-1-amine
CID 81143798
2-(4-bromo-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81152886
2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81144261
2-(2-chloro-5-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 102619203
N,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylhexan-1-amine
CID 81143501

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of N-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 81143698) is N-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for N-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine is CNC(Cc1ccc(C)cc1)c1cnc2ccsc2c1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is SNMHVEAHKMQWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-12-3-5-13(6-4-12)9-16(18-2)14-10-17-15(19-11-14)7-8-20-17/h3-8,10-11,16,18H,9H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
N-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 282.41 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 81143698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).