N-methyl-1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-2-yl]methanamine

C16H20N2O — CID 66403294

About N-methyl-1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-2-yl]methanamine

N-methyl-1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-2-yl]methanamine (PubChem CID 66403294) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-2-yl]methanamine.

Molecular Properties

• Compound Name: N-methyl-1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-2-yl]methanamine
• PubChem CID: 66403294
• Molecular Formula: C16H20N2O
• Molecular Weight: 256.35 g/mol
• Exact Mass: 256.16
• IUPAC Name: N-methyl-1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-2-yl]methanamine
• SMILES: CNCc1cccn1CC1Cc2cc(C)ccc2O1
• InChI: InChI=1S/C16H20N2O/c1-12-5-6-16-13(8-12)9-15(19-16)11-18-7-3-4-14(18)10-17-2/h3-8,15,17H,9-11H2,1-2H3
• InChIKey: NYXMJALSLPMAQS-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 26.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	256.35
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-methyl-1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-2-yl]methanamine (CID 66403294) is N-methyl-1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-2-yl]methanamine.

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

The canonical SMILES for N-methyl-1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-2-yl]methanamine is CNCc1cccn1CC1Cc2cc(C)ccc2O1.

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

The InChIKey is NYXMJALSLPMAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-5-6-16-13(8-12)9-15(19-16)11-18-7-3-4-14(18)10-17-2/h3-8,15,17H,9-11H2,1-2H3.

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

N-methyl-1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-2-yl]methanamine has a molecular weight of 256.35 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 N-methyl-1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-2-yl]methanamine is sourced from PubChem (CID 66403294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).