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

C17H17FN2S — CID 114348215

IUPAC2-(4-fluoro-2-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCNC(Cc1ccc(F)cc1C)c1cnc2ccsc2c1
InChIInChI=1S/C17H17FN2S/c1-11-7-14(18)4-3-12(11)8-16(19-2)13-9-17-15(20-10-13)5-6-21-17/h3-7,9-10,16,19H,8H2,1-2H3
InChIKeySISQNDZAYDFSGO-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.25
Rot. Bonds4

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

2-(4-fluoro-2-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 114348215) has the molecular formula C17H17FN2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID114348215
Molecular FormulaC17H17FN2S
Molecular Weight300.40 g/mol
Exact Mass300.11
IUPAC Name2-(4-fluoro-2-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCNC(Cc1ccc(F)cc1C)c1cnc2ccsc2c1
InChIInChI=1S/C17H17FN2S/c1-11-7-14(18)4-3-12(11)8-16(19-2)13-9-17-15(20-10-13)5-6-21-17/h3-7,9-10,16,19H,8H2,1-2H3
InChIKeySISQNDZAYDFSGO-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 114348215) is 2-(4-fluoro-2-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine is CNC(Cc1ccc(F)cc1C)c1cnc2ccsc2c1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is SISQNDZAYDFSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2S/c1-11-7-14(18)4-3-12(11)8-16(19-2)13-9-17-15(20-10-13)5-6-21-17/h3-7,9-10,16,19H,8H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine?
2-(4-fluoro-2-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 300.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 114348215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).