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

C16H15BrN2S — CID 81143696

IUPAC2-(4-bromophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cnc2ccsc2c1
InChIInChI=1S/C16H15BrN2S/c1-18-15(8-11-2-4-13(17)5-3-11)12-9-16-14(19-10-12)6-7-20-16/h2-7,9-10,15,18H,8H2,1H3
InChIKeyYEAZEPDWYQYXBP-UHFFFAOYSA-N
MW347.28 g/mol
LogP4.56
Rot. Bonds4

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

2-(4-bromophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 81143696) has the molecular formula C16H15BrN2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID81143696
Molecular FormulaC16H15BrN2S
Molecular Weight347.28 g/mol
Exact Mass346.01
IUPAC Name2-(4-bromophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cnc2ccsc2c1
InChIInChI=1S/C16H15BrN2S/c1-18-15(8-11-2-4-13(17)5-3-11)12-9-16-14(19-10-12)6-7-20-16/h2-7,9-10,15,18H,8H2,1H3
InChIKeyYEAZEPDWYQYXBP-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 54.56
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
N-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143698
2-(4-bromo-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81152886
2-(4-bromophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol
CID 81144222
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
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-(3-bromo-5-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethyl]hydrazine
CID 105256410
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 2-(4-bromophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 81143696) is 2-(4-bromophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine is CNC(Cc1ccc(Br)cc1)c1cnc2ccsc2c1.
What is the InChIKey of 2-(4-bromophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is YEAZEPDWYQYXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2S/c1-18-15(8-11-2-4-13(17)5-3-11)12-9-16-14(19-10-12)6-7-20-16/h2-7,9-10,15,18H,8H2,1H3.
What are the key properties of 2-(4-bromophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine?
2-(4-bromophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 347.28 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 81143696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).