1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol

C19H25NO4 — CID 111468429

About 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol

1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol (PubChem CID 111468429) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol.

Molecular Properties

• Compound Name: 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
• PubChem CID: 111468429
• Molecular Formula: C19H25NO4
• Molecular Weight: 331.41 g/mol
• Exact Mass: 331.18
• IUPAC Name: 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
• SMILES: COc1cc(CNCC(C)(O)c2ccc(C)o2)c2c(c1)CC(C)O2
• InChI: InChI=1S/C19H25NO4/c1-12-5-6-17(23-12)19(3,21)11-20-10-15-9-16(22-4)8-14-7-13(2)24-18(14)15/h5-6,8-9,13,20-21H,7,10-11H2,1-4H3
• InChIKey: ORKZUTXCNXPIBH-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 63.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.41
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?

The IUPAC name of 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol (CID 111468429) is 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol.

What is the SMILES notation for 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?

The canonical SMILES for 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol is COc1cc(CNCC(C)(O)c2ccc(C)o2)c2c(c1)CC(C)O2.

What is the InChIKey of 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?

The InChIKey is ORKZUTXCNXPIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-12-5-6-17(23-12)19(3,21)11-20-10-15-9-16(22-4)8-14-7-13(2)24-18(14)15/h5-6,8-9,13,20-21H,7,10-11H2,1-4H3.

What are the key properties of 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?

1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol has a molecular weight of 331.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol is sourced from PubChem (CID 111468429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).