1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methylpyrrolidin-3-amine

C16H24N2O2 — CID 115349914

About 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methylpyrrolidin-3-amine

1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 115349914) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

• Compound Name: 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methylpyrrolidin-3-amine
• PubChem CID: 115349914
• Molecular Formula: C16H24N2O2
• Molecular Weight: 276.38 g/mol
• Exact Mass: 276.18
• IUPAC Name: 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methylpyrrolidin-3-amine
• SMILES: CNC1CCN(Cc2cc3c(cc2OC)CC(C)O3)C1
• InChI: InChI=1S/C16H24N2O2/c1-11-6-12-7-15(19-3)13(8-16(12)20-11)9-18-5-4-14(10-18)17-2/h7-8,11,14,17H,4-6,9-10H2,1-3H3
• InChIKey: LSVNBLIOADPTGI-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 33.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	276.38
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methylpyrrolidin-3-amine?

The IUPAC name of 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methylpyrrolidin-3-amine (CID 115349914) is 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methylpyrrolidin-3-amine.

What is the SMILES notation for 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methylpyrrolidin-3-amine?

The canonical SMILES for 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methylpyrrolidin-3-amine is CNC1CCN(Cc2cc3c(cc2OC)CC(C)O3)C1.

What is the InChIKey of 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methylpyrrolidin-3-amine?

The InChIKey is LSVNBLIOADPTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-6-12-7-15(19-3)13(8-16(12)20-11)9-18-5-4-14(10-18)17-2/h7-8,11,14,17H,4-6,9-10H2,1-3H3.

What are the key properties of 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methylpyrrolidin-3-amine?

1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 276.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 115349914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).