2-[2-amino-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethoxy]ethanol

C14H21NO4 — CID 103376772

About 2-[2-amino-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethoxy]ethanol

2-[2-amino-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethoxy]ethanol (PubChem CID 103376772) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[2-amino-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-amino-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethoxy]ethanol
• PubChem CID: 103376772
• Molecular Formula: C14H21NO4
• Molecular Weight: 267.32 g/mol
• Exact Mass: 267.15
• IUPAC Name: 2-[2-amino-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethoxy]ethanol
• SMILES: COc1cc2c(cc1C(CN)OCCO)OC(C)C2
• InChI: InChI=1S/C14H21NO4/c1-9-5-10-6-13(17-2)11(7-12(10)19-9)14(8-15)18-4-3-16/h6-7,9,14,16H,3-5,8,15H2,1-2H3
• InChIKey: SEWCQMCXEYGRQK-UHFFFAOYSA-N
• XLogP: 1.03
• TPSA: 73.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.32
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethoxy]ethanol?

The IUPAC name of 2-[2-amino-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethoxy]ethanol (CID 103376772) is 2-[2-amino-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethoxy]ethanol.

What is the SMILES notation for 2-[2-amino-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethoxy]ethanol?

The canonical SMILES for 2-[2-amino-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethoxy]ethanol is COc1cc2c(cc1C(CN)OCCO)OC(C)C2.

What is the InChIKey of 2-[2-amino-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethoxy]ethanol?

The InChIKey is SEWCQMCXEYGRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9-5-10-6-13(17-2)11(7-12(10)19-9)14(8-15)18-4-3-16/h6-7,9,14,16H,3-5,8,15H2,1-2H3.

What are the key properties of 2-[2-amino-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethoxy]ethanol?

2-[2-amino-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethoxy]ethanol has a molecular weight of 267.32 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-amino-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethoxy]ethanol is sourced from PubChem (CID 103376772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).