N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(furan-2-yl)methanamine

C17H21NO3 — CID 30044771

About N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(furan-2-yl)methanamine

N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(furan-2-yl)methanamine (PubChem CID 30044771) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

• Compound Name: N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(furan-2-yl)methanamine
• PubChem CID: 30044771
• Molecular Formula: C17H21NO3
• Molecular Weight: 287.36 g/mol
• Exact Mass: 287.15
• IUPAC Name: N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(furan-2-yl)methanamine
• SMILES: CCOc1cc2c(cc1CNCc1ccco1)O[C@H](C)C2
• InChI: InChI=1S/C17H21NO3/c1-3-19-16-8-13-7-12(2)21-17(13)9-14(16)10-18-11-15-5-4-6-20-15/h4-6,8-9,12,18H,3,7,10-11H2,1-2H3/t12-/m1/s1
• InChIKey: IHAFHOOIBJPJIG-GFCCVEGCSA-N
• XLogP: 3.29
• TPSA: 43.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.36
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(furan-2-yl)methanamine?

The IUPAC name of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(furan-2-yl)methanamine (CID 30044771) is N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(furan-2-yl)methanamine.

What is the SMILES notation for N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(furan-2-yl)methanamine?

The canonical SMILES for N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(furan-2-yl)methanamine is CCOc1cc2c(cc1CNCc1ccco1)O[C@H](C)C2.

What is the InChIKey of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(furan-2-yl)methanamine?

The InChIKey is IHAFHOOIBJPJIG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-19-16-8-13-7-12(2)21-17(13)9-14(16)10-18-11-15-5-4-6-20-15/h4-6,8-9,12,18H,3,7,10-11H2,1-2H3/t12-/m1/s1.

What are the key properties of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(furan-2-yl)methanamine?

N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(furan-2-yl)methanamine has a molecular weight of 287.36 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 30044771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).