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

C17H26N2O2 — CID 106602786

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

N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine (PubChem CID 106602786) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

• Compound Name: N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
• PubChem CID: 106602786
• Molecular Formula: C17H26N2O2
• Molecular Weight: 290.41 g/mol
• Exact Mass: 290.20
• IUPAC Name: N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
• SMILES: COc1cc2c(cc1CN(C)CC1CCCN1)OC(C)C2
• InChI: InChI=1S/C17H26N2O2/c1-12-7-13-8-16(20-3)14(9-17(13)21-12)10-19(2)11-15-5-4-6-18-15/h8-9,12,15,18H,4-7,10-11H2,1-3H3
• InChIKey: SHNIJSFEGMTOHW-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 33.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.41
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine (CID 106602786) is N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine.

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

The canonical SMILES for N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine is COc1cc2c(cc1CN(C)CC1CCCN1)OC(C)C2.

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

The InChIKey is SHNIJSFEGMTOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-7-13-8-16(20-3)14(9-17(13)21-12)10-19(2)11-15-5-4-6-18-15/h8-9,12,15,18H,4-7,10-11H2,1-3H3.

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

N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine has a molecular weight of 290.41 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 106602786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).