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

C16H14ClFN2S — CID 103040348

IUPAC2-(3-chloro-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCNC(Cc1ccc(F)c(Cl)c1)c1cnc2ccsc2c1
InChIInChI=1S/C16H14ClFN2S/c1-19-15(7-10-2-3-13(18)12(17)6-10)11-8-16-14(20-9-11)4-5-21-16/h2-6,8-9,15,19H,7H2,1H3
InChIKeyMOZOHTLFQSZXDQ-UHFFFAOYSA-N
MW320.82 g/mol
LogP4.59
Rot. Bonds4

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

2-(3-chloro-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 103040348) has the molecular formula C16H14ClFN2S and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID103040348
Molecular FormulaC16H14ClFN2S
Molecular Weight320.82 g/mol
Exact Mass320.06
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCNC(Cc1ccc(F)c(Cl)c1)c1cnc2ccsc2c1
InChIInChI=1S/C16H14ClFN2S/c1-19-15(7-10-2-3-13(18)12(17)6-10)11-8-16-14(20-9-11)4-5-21-16/h2-6,8-9,15,19H,7H2,1H3
InChIKeyMOZOHTLFQSZXDQ-UHFFFAOYSA-N
XLogP4.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 54.59
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-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-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64829615
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
2-(4-bromo-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81152886
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 103043135
N-methyl-2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143207
5,5,5-trifluoro-N-methyl-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine
CID 115517514
3-[2-(methylamino)-2-thieno[3,2-b]pyridin-6-ylethyl]pyridin-2-amine
CID 81143119
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 103043497

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 103040348) is 2-(3-chloro-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine is CNC(Cc1ccc(F)c(Cl)c1)c1cnc2ccsc2c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is MOZOHTLFQSZXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2S/c1-19-15(7-10-2-3-13(18)12(17)6-10)11-8-16-14(20-9-11)4-5-21-16/h2-6,8-9,15,19H,7H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine?
2-(3-chloro-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 320.82 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 103040348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).