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

C20H23NO3 — CID 34539767

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

1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine (PubChem CID 34539767) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine.

Molecular Properties

• Compound Name: 1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine
• PubChem CID: 34539767
• Molecular Formula: C20H23NO3
• Molecular Weight: 325.41 g/mol
• Exact Mass: 325.17
• IUPAC Name: 1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine
• SMILES: COc1cc2c(cc1CNC[C@H]1Cc3ccccc3O1)O[C@@H](C)C2
• InChI: InChI=1S/C20H23NO3/c1-13-7-15-9-19(22-2)16(10-20(15)23-13)11-21-12-17-8-14-5-3-4-6-18(14)24-17/h3-6,9-10,13,17,21H,7-8,11-12H2,1-2H3/t13-,17+/m0/s1
• InChIKey: YQBMMKDOHVEVNB-SUMWQHHRSA-N
• XLogP: 3.11
• TPSA: 39.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.41
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine (CID 34539767) is 1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine.

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

The canonical SMILES for 1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine is COc1cc2c(cc1CNC[C@H]1Cc3ccccc3O1)O[C@@H](C)C2.

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

The InChIKey is YQBMMKDOHVEVNB-SUMWQHHRSA-N. The full InChI is InChI=1S/C20H23NO3/c1-13-7-15-9-19(22-2)16(10-20(15)23-13)11-21-12-17-8-14-5-3-4-6-18(14)24-17/h3-6,9-10,13,17,21H,7-8,11-12H2,1-2H3/t13-,17+/m0/s1.

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

1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine has a molecular weight of 325.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine is sourced from PubChem (CID 34539767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).