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

C13H17NO2 — CID 114724590

IUPAC1-amino-2-(1-benzofuran-2-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)(CN)c1cc2ccccc2o1
InChIInChI=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
InChIKeyHITNNMQQMVSHDL-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.24
Rot. Bonds3

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 Name1-amino-2-(1-benzofuran-2-yl)-3-methylbutan-2-ol
PubChem CID114724590
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-amino-2-(1-benzofuran-2-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)(CN)c1cc2ccccc2o1
InChIInChI=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
InChIKeyHITNNMQQMVSHDL-UHFFFAOYSA-N
XLogP2.24
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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).