2-[6-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl]-4-propan-2-ylaniline

C22H23FN2S — CID 68729792

About 2-[6-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl]-4-propan-2-ylaniline

2-[6-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl]-4-propan-2-ylaniline (PubChem CID 68729792) has the molecular formula C22H23FN2S and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl]-4-propan-2-ylaniline.

Molecular Properties

• Compound Name: 2-[6-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl]-4-propan-2-ylaniline
• PubChem CID: 68729792
• Molecular Formula: C22H23FN2S
• Molecular Weight: 366.51 g/mol
• Exact Mass: 366.16
• IUPAC Name: 2-[6-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl]-4-propan-2-ylaniline
• SMILES: CC(C)c1ccc(N)c(C2c3sccc3CCN2c2ccc(F)cc2)c1
• InChI: InChI=1S/C22H23FN2S/c1-14(2)16-3-8-20(24)19(13-16)21-22-15(10-12-26-22)9-11-25(21)18-6-4-17(23)5-7-18/h3-8,10,12-14,21H,9,11,24H2,1-2H3
• InChIKey: NEVAPQUAKIGZMU-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 29.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	366.51
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl]-4-propan-2-ylaniline?

The IUPAC name of 2-[6-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl]-4-propan-2-ylaniline (CID 68729792) is 2-[6-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl]-4-propan-2-ylaniline.

What is the SMILES notation for 2-[6-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl]-4-propan-2-ylaniline?

The canonical SMILES for 2-[6-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl]-4-propan-2-ylaniline is CC(C)c1ccc(N)c(C2c3sccc3CCN2c2ccc(F)cc2)c1.

What is the InChIKey of 2-[6-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl]-4-propan-2-ylaniline?

The InChIKey is NEVAPQUAKIGZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2S/c1-14(2)16-3-8-20(24)19(13-16)21-22-15(10-12-26-22)9-11-25(21)18-6-4-17(23)5-7-18/h3-8,10,12-14,21H,9,11,24H2,1-2H3.

What are the key properties of 2-[6-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl]-4-propan-2-ylaniline?

2-[6-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl]-4-propan-2-ylaniline has a molecular weight of 366.51 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-7-yl]-4-propan-2-ylaniline is sourced from PubChem (CID 68729792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).