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

C₁₄H₁₉NO₂ — CID 116944240

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

[1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol (PubChem CID 116944240) has the molecular formula C₁₄H₁₉NO₂ and a molecular weight of 233.31 g/mol. Its IUPAC name is [1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol.

Molecular Properties

• Compound Name: [1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol
• PubChem CID: 116944240
• Molecular Formula: C₁₄H₁₉NO₂
• Molecular Weight: 233.31 g/mol
• Exact Mass: 233.14
• IUPAC Name: [1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol
• SMILES: NC(c1ccc2c(c1)CCO2)C1(CO)CCC1
• InChI: InChI=1S/C14H19NO2/c15-13(14(9-16)5-1-6-14)11-2-3-12-10(8-11)4-7-17-12/h2-3,8,13,16H,1,4-7,9,15H2
• InChIKey: MYFJELNZMHISJH-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 55.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	233.31
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of [1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol (CID 116944240) is [1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol.

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

The canonical SMILES for [1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol is NC(c1ccc2c(c1)CCO2)C1(CO)CCC1.

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

The InChIKey is MYFJELNZMHISJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c15-13(14(9-16)5-1-6-14)11-2-3-12-10(8-11)4-7-17-12/h2-3,8,13,16H,1,4-7,9,15H2.

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

[1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol has a molecular weight of 233.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116944240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 116944240 — identifiers, structure, computed properties (public domain)

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