[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl-methylamino]oxan-4-yl]methanol

C19H29NO4 — CID 154754419

About [4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl-methylamino]oxan-4-yl]methanol

[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl-methylamino]oxan-4-yl]methanol (PubChem CID 154754419) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is [4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl-methylamino]oxan-4-yl]methanol.

Molecular Properties

• Compound Name: [4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl-methylamino]oxan-4-yl]methanol
• PubChem CID: 154754419
• Molecular Formula: C19H29NO4
• Molecular Weight: 335.44 g/mol
• Exact Mass: 335.21
• IUPAC Name: [4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl-methylamino]oxan-4-yl]methanol
• SMILES: CCOc1cc2c(cc1CN(C)C1(CO)CCOCC1)OC(C)C2
• InChI: InChI=1S/C19H29NO4/c1-4-23-17-10-15-9-14(2)24-18(15)11-16(17)12-20(3)19(13-21)5-7-22-8-6-19/h10-11,14,21H,4-9,12-13H2,1-3H3
• InChIKey: KVBJCUWJDKCSJT-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 51.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.44
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl-methylamino]oxan-4-yl]methanol?

The IUPAC name of [4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl-methylamino]oxan-4-yl]methanol (CID 154754419) is [4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl-methylamino]oxan-4-yl]methanol.

What is the SMILES notation for [4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl-methylamino]oxan-4-yl]methanol?

The canonical SMILES for [4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl-methylamino]oxan-4-yl]methanol is CCOc1cc2c(cc1CN(C)C1(CO)CCOCC1)OC(C)C2.

What is the InChIKey of [4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl-methylamino]oxan-4-yl]methanol?

The InChIKey is KVBJCUWJDKCSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-4-23-17-10-15-9-14(2)24-18(15)11-16(17)12-20(3)19(13-21)5-7-22-8-6-19/h10-11,14,21H,4-9,12-13H2,1-3H3.

What are the key properties of [4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl-methylamino]oxan-4-yl]methanol?

[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl-methylamino]oxan-4-yl]methanol has a molecular weight of 335.44 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl-methylamino]oxan-4-yl]methanol is sourced from PubChem (CID 154754419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).