3-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)propan-1-ol

C15H23NO2 — CID 19737784

IUPAC3-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)propan-1-ol
SMILESCc1c(N)c(C)c2c(c1CCCO)OC(C)(C)C2
InChIInChI=1S/C15H23NO2/c1-9-11(6-5-7-17)14-12(10(2)13(9)16)8-15(3,4)18-14/h17H,5-8,16H2,1-4H3
InChIKeyASPJZEBBOYNONM-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.52
Rot. Bonds3

About 3-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)propan-1-ol

3-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)propan-1-ol (PubChem CID 19737784) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)propan-1-ol
PubChem CID19737784
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)propan-1-ol
SMILESCc1c(N)c(C)c2c(c1CCCO)OC(C)(C)C2
InChIInChI=1S/C15H23NO2/c1-9-11(6-5-7-17)14-12(10(2)13(9)16)8-15(3,4)18-14/h17H,5-8,16H2,1-4H3
InChIKeyASPJZEBBOYNONM-UHFFFAOYSA-N
XLogP2.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)propan-1-ol?
The IUPAC name of 3-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)propan-1-ol (CID 19737784) is 3-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)propan-1-ol.
What is the SMILES notation for 3-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)propan-1-ol?
The canonical SMILES for 3-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)propan-1-ol is Cc1c(N)c(C)c2c(c1CCCO)OC(C)(C)C2.
What is the InChIKey of 3-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)propan-1-ol?
The InChIKey is ASPJZEBBOYNONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-9-11(6-5-7-17)14-12(10(2)13(9)16)8-15(3,4)18-14/h17H,5-8,16H2,1-4H3.
What are the key properties of 3-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)propan-1-ol?
3-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl)propan-1-ol is sourced from PubChem (CID 19737784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).