2-[cyclobutyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]ethanol

C15H20FNO2 — CID 102870121

About 2-[cyclobutyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]ethanol

2-[cyclobutyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]ethanol (PubChem CID 102870121) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[cyclobutyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[cyclobutyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]ethanol
• PubChem CID: 102870121
• Molecular Formula: C15H20FNO2
• Molecular Weight: 265.33 g/mol
• Exact Mass: 265.15
• IUPAC Name: 2-[cyclobutyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]ethanol
• SMILES: OCCN(CC1Cc2cc(F)ccc2O1)C1CCC1
• InChI: InChI=1S/C15H20FNO2/c16-12-4-5-15-11(8-12)9-14(19-15)10-17(6-7-18)13-2-1-3-13/h4-5,8,13-14,18H,1-3,6-7,9-10H2
• InChIKey: XYNWTFUXPYSLJI-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 32.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.33
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-[cyclobutyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]ethanol (CID 102870121) is 2-[cyclobutyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]ethanol.

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

The canonical SMILES for 2-[cyclobutyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]ethanol is OCCN(CC1Cc2cc(F)ccc2O1)C1CCC1.

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

The InChIKey is XYNWTFUXPYSLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-12-4-5-15-11(8-12)9-14(19-15)10-17(6-7-18)13-2-1-3-13/h4-5,8,13-14,18H,1-3,6-7,9-10H2.

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

2-[cyclobutyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]ethanol has a molecular weight of 265.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclobutyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 102870121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).