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

C16H14BrFN2S — CID 81152886

IUPAC2-(4-bromo-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCNC(Cc1ccc(Br)cc1F)c1cnc2ccsc2c1
InChIInChI=1S/C16H14BrFN2S/c1-19-15(6-10-2-3-12(17)8-13(10)18)11-7-16-14(20-9-11)4-5-21-16/h2-5,7-9,15,19H,6H2,1H3
InChIKeyMSQMPRUGWCLCEU-UHFFFAOYSA-N
MW365.27 g/mol
LogP4.70
Rot. Bonds4

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

2-(4-bromo-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 81152886) has the molecular formula C16H14BrFN2S and a molecular weight of 365.27 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID81152886
Molecular FormulaC16H14BrFN2S
Molecular Weight365.27 g/mol
Exact Mass364.00
IUPAC Name2-(4-bromo-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCNC(Cc1ccc(Br)cc1F)c1cnc2ccsc2c1
InChIInChI=1S/C16H14BrFN2S/c1-19-15(6-10-2-3-12(17)8-13(10)18)11-7-16-14(20-9-11)4-5-21-16/h2-5,7-9,15,19H,6H2,1H3
InChIKeyMSQMPRUGWCLCEU-UHFFFAOYSA-N
XLogP4.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143696
2-(2-chloro-5-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 102619203
N-methyl-2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143207
2-(4-chlorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143973
2-(3-chloro-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 103040348
3-[2-(methylamino)-2-thieno[3,2-b]pyridin-6-ylethyl]pyridin-2-amine
CID 81143119
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105137243
N-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143698
2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol
CID 81144033
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 55095249
4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 65467163
2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 115844724

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 81152886) is 2-(4-bromo-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine is CNC(Cc1ccc(Br)cc1F)c1cnc2ccsc2c1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is MSQMPRUGWCLCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2S/c1-19-15(6-10-2-3-12(17)8-13(10)18)11-7-16-14(20-9-11)4-5-21-16/h2-5,7-9,15,19H,6H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine?
2-(4-bromo-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 365.27 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 81152886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).