1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-propan-2-ylpiperidin-4-amine

C20H32N2O2 — CID 126772238

About 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-propan-2-ylpiperidin-4-amine

1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-propan-2-ylpiperidin-4-amine (PubChem CID 126772238) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

• Compound Name: 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-propan-2-ylpiperidin-4-amine
• PubChem CID: 126772238
• Molecular Formula: C20H32N2O2
• Molecular Weight: 332.49 g/mol
• Exact Mass: 332.25
• IUPAC Name: 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-propan-2-ylpiperidin-4-amine
• SMILES: CCOc1cc2c(cc1CN1CCC(NC(C)C)CC1)OC(C)C2
• InChI: InChI=1S/C20H32N2O2/c1-5-23-19-11-16-10-15(4)24-20(16)12-17(19)13-22-8-6-18(7-9-22)21-14(2)3/h11-12,14-15,18,21H,5-10,13H2,1-4H3
• InChIKey: BFRZCVRODCTRTE-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 33.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.49
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-propan-2-ylpiperidin-4-amine?

The IUPAC name of 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-propan-2-ylpiperidin-4-amine (CID 126772238) is 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-propan-2-ylpiperidin-4-amine.

What is the SMILES notation for 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-propan-2-ylpiperidin-4-amine?

The canonical SMILES for 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-propan-2-ylpiperidin-4-amine is CCOc1cc2c(cc1CN1CCC(NC(C)C)CC1)OC(C)C2.

What is the InChIKey of 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-propan-2-ylpiperidin-4-amine?

The InChIKey is BFRZCVRODCTRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-5-23-19-11-16-10-15(4)24-20(16)12-17(19)13-22-8-6-18(7-9-22)21-14(2)3/h11-12,14-15,18,21H,5-10,13H2,1-4H3.

What are the key properties of 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-propan-2-ylpiperidin-4-amine?

1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-propan-2-ylpiperidin-4-amine has a molecular weight of 332.49 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 126772238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).