1-amino-2-(1-benzofuran-2-yl)-3-methylbutan-2-ol

C₁₃H₁₇NO₂ — CID 114724590

About 1-amino-2-(1-benzofuran-2-yl)-3-methylbutan-2-ol

1-amino-2-(1-benzofuran-2-yl)-3-methylbutan-2-ol (PubChem CID 114724590) has the molecular formula C₁₃H₁₇NO₂ and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-amino-2-(1-benzofuran-2-yl)-3-methylbutan-2-ol.

Molecular Properties

• Compound Name: 1-amino-2-(1-benzofuran-2-yl)-3-methylbutan-2-ol
• PubChem CID: 114724590
• Molecular Formula: C₁₃H₁₇NO₂
• Molecular Weight: 219.28 g/mol
• Exact Mass: 219.13
• IUPAC Name: 1-amino-2-(1-benzofuran-2-yl)-3-methylbutan-2-ol
• SMILES: CC(C)C(O)(CN)c1cc2ccccc2o1
• InChI: InChI=1S/C13H17NO2/c1-9(2)13(15,8-14)12-7-10-5-3-4-6-11(10)16-12/h3-7,9,15H,8,14H2,1-2H3
• InChIKey: HITNNMQQMVSHDL-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 59.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	219.28
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(1-benzofuran-2-yl)-3-methylbutan-2-ol?

The IUPAC name of 1-amino-2-(1-benzofuran-2-yl)-3-methylbutan-2-ol (CID 114724590) is 1-amino-2-(1-benzofuran-2-yl)-3-methylbutan-2-ol.

What is the SMILES notation for 1-amino-2-(1-benzofuran-2-yl)-3-methylbutan-2-ol?

The canonical SMILES for 1-amino-2-(1-benzofuran-2-yl)-3-methylbutan-2-ol is CC(C)C(O)(CN)c1cc2ccccc2o1.

What is the InChIKey of 1-amino-2-(1-benzofuran-2-yl)-3-methylbutan-2-ol?

The InChIKey is HITNNMQQMVSHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)13(15,8-14)12-7-10-5-3-4-6-11(10)16-12/h3-7,9,15H,8,14H2,1-2H3.

What are the key properties of 1-amino-2-(1-benzofuran-2-yl)-3-methylbutan-2-ol?

1-amino-2-(1-benzofuran-2-yl)-3-methylbutan-2-ol has a molecular weight of 219.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-2-(1-benzofuran-2-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 114724590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114724590 — identifiers, structure, computed properties (public domain)

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