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

C17H25NO3 — CID 110935869

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

2-[cyclopropyl-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]amino]ethanol (PubChem CID 110935869) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[cyclopropyl-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[cyclopropyl-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]amino]ethanol
• PubChem CID: 110935869
• Molecular Formula: C17H25NO3
• Molecular Weight: 291.39 g/mol
• Exact Mass: 291.18
• IUPAC Name: 2-[cyclopropyl-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]amino]ethanol
• SMILES: CCOc1cc2c(cc1CN(CCO)C1CC1)OC(C)C2
• InChI: InChI=1S/C17H25NO3/c1-3-20-16-9-13-8-12(2)21-17(13)10-14(16)11-18(6-7-19)15-4-5-15/h9-10,12,15,19H,3-8,11H2,1-2H3
• InChIKey: CKDZQZYLXQHZPN-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 41.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	291.39
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[cyclopropyl-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]amino]ethanol (CID 110935869) is 2-[cyclopropyl-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]amino]ethanol.

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

The canonical SMILES for 2-[cyclopropyl-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]amino]ethanol is CCOc1cc2c(cc1CN(CCO)C1CC1)OC(C)C2.

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

The InChIKey is CKDZQZYLXQHZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-20-16-9-13-8-12(2)21-17(13)10-14(16)11-18(6-7-19)15-4-5-15/h9-10,12,15,19H,3-8,11H2,1-2H3.

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

2-[cyclopropyl-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]amino]ethanol has a molecular weight of 291.39 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropyl-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]amino]ethanol is sourced from PubChem (CID 110935869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).