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

C16H23NO2 — CID 66360236

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

N-methyl-1-[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclobutyl]methanamine (PubChem CID 66360236) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-methyl-1-[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclobutyl]methanamine.

Molecular Properties

• Compound Name: N-methyl-1-[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclobutyl]methanamine
• PubChem CID: 66360236
• Molecular Formula: C16H23NO2
• Molecular Weight: 261.37 g/mol
• Exact Mass: 261.17
• IUPAC Name: N-methyl-1-[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclobutyl]methanamine
• SMILES: CNCC1CC(OCC2Cc3cc(C)ccc3O2)C1
• InChI: InChI=1S/C16H23NO2/c1-11-3-4-16-13(5-11)8-15(19-16)10-18-14-6-12(7-14)9-17-2/h3-5,12,14-15,17H,6-10H2,1-2H3
• InChIKey: FAGMLIDWOSOBBG-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	261.37
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-methyl-1-[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclobutyl]methanamine (CID 66360236) is N-methyl-1-[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclobutyl]methanamine.

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

The canonical SMILES for N-methyl-1-[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclobutyl]methanamine is CNCC1CC(OCC2Cc3cc(C)ccc3O2)C1.

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

The InChIKey is FAGMLIDWOSOBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-3-4-16-13(5-11)8-15(19-16)10-18-14-6-12(7-14)9-17-2/h3-5,12,14-15,17H,6-10H2,1-2H3.

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

N-methyl-1-[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclobutyl]methanamine has a molecular weight of 261.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-1-[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclobutyl]methanamine is sourced from PubChem (CID 66360236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).