1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine

C16H23FN2O — CID 106318637

About 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine

1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 106318637) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

• Compound Name: 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
• PubChem CID: 106318637
• Molecular Formula: C16H23FN2O
• Molecular Weight: 278.37 g/mol
• Exact Mass: 278.18
• IUPAC Name: 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
• SMILES: CNCC1(C)CCN(CC2Cc3cc(F)ccc3O2)C1
• InChI: InChI=1S/C16H23FN2O/c1-16(10-18-2)5-6-19(11-16)9-14-8-12-7-13(17)3-4-15(12)20-14/h3-4,7,14,18H,5-6,8-11H2,1-2H3
• InChIKey: ZVTQBUKUXORNEG-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 24.50 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	278.37
LogP ≤ 5	2.06
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]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?

The IUPAC name of 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine (CID 106318637) is 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine.

What is the SMILES notation for 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?

The canonical SMILES for 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine is CNCC1(C)CCN(CC2Cc3cc(F)ccc3O2)C1.

What is the InChIKey of 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?

The InChIKey is ZVTQBUKUXORNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-16(10-18-2)5-6-19(11-16)9-14-8-12-7-13(17)3-4-15(12)20-14/h3-4,7,14,18H,5-6,8-11H2,1-2H3.

What are the key properties of 1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?

1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 278.37 g/mol, XLogP of 2.06, 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]-3-methylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 106318637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).