3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine

C17H19FN2O — CID 79707540

About 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine (PubChem CID 79707540) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine
• PubChem CID: 79707540
• Molecular Formula: C17H19FN2O
• Molecular Weight: 286.35 g/mol
• Exact Mass: 286.15
• IUPAC Name: 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine
• SMILES: CNC(CCc1ccc2c(c1)CCO2)c1ccc(F)cn1
• InChI: InChI=1S/C17H19FN2O/c1-19-15(16-6-4-14(18)11-20-16)5-2-12-3-7-17-13(10-12)8-9-21-17/h3-4,6-7,10-11,15,19H,2,5,8-9H2,1H3
• InChIKey: UGOQPLVQUWMGKO-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 34.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.35
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine?

The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine (CID 79707540) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine.

What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine?

The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine is CNC(CCc1ccc2c(c1)CCO2)c1ccc(F)cn1.

What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine?

The InChIKey is UGOQPLVQUWMGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-19-15(16-6-4-14(18)11-20-16)5-2-12-3-7-17-13(10-12)8-9-21-17/h3-4,6-7,10-11,15,19H,2,5,8-9H2,1H3.

What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine?

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine has a molecular weight of 286.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79707540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).