1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]propan-2-amine

C16H19FN2O — CID 66404681

About 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]propan-2-amine

1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]propan-2-amine (PubChem CID 66404681) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]propan-2-amine.

Molecular Properties

• Compound Name: 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]propan-2-amine
• PubChem CID: 66404681
• Molecular Formula: C16H19FN2O
• Molecular Weight: 274.34 g/mol
• Exact Mass: 274.15
• IUPAC Name: 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]propan-2-amine
• SMILES: CC(N)Cc1ccn(CC2Cc3cc(F)ccc3O2)c1
• InChI: InChI=1S/C16H19FN2O/c1-11(18)6-12-4-5-19(9-12)10-15-8-13-7-14(17)2-3-16(13)20-15/h2-5,7,9,11,15H,6,8,10,18H2,1H3
• InChIKey: YXDWLYOCMDHLQU-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 40.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.34
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]propan-2-amine?

The IUPAC name of 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]propan-2-amine (CID 66404681) is 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]propan-2-amine.

What is the SMILES notation for 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]propan-2-amine?

The canonical SMILES for 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]propan-2-amine is CC(N)Cc1ccn(CC2Cc3cc(F)ccc3O2)c1.

What is the InChIKey of 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]propan-2-amine?

The InChIKey is YXDWLYOCMDHLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-11(18)6-12-4-5-19(9-12)10-15-8-13-7-14(17)2-3-16(13)20-15/h2-5,7,9,11,15H,6,8,10,18H2,1H3.

What are the key properties of 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]propan-2-amine?

1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]propan-2-amine has a molecular weight of 274.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]propan-2-amine is sourced from PubChem (CID 66404681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).