7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-amine

C11H15NO2 — CID 84772789

IUPAC7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-amine
SMILESCOc1cc(N)cc2c1OC(C)(C)C2
InChIInChI=1S/C11H15NO2/c1-11(2)6-7-4-8(12)5-9(13-3)10(7)14-11/h4-5H,6,12H2,1-3H3
InChIKeyVOXUTKXZEYBRGH-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.99
Rot. Bonds1

About 7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-amine

7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-amine (PubChem CID 84772789) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-amine
PubChem CID84772789
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-amine
SMILESCOc1cc(N)cc2c1OC(C)(C)C2
InChIInChI=1S/C11H15NO2/c1-11(2)6-7-4-8(12)5-9(13-3)10(7)14-11/h4-5H,6,12H2,1-3H3
InChIKeyVOXUTKXZEYBRGH-UHFFFAOYSA-N
XLogP1.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
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 7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-amine?
The IUPAC name of 7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-amine (CID 84772789) is 7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for 7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-amine?
The canonical SMILES for 7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-amine is COc1cc(N)cc2c1OC(C)(C)C2.
What is the InChIKey of 7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-amine?
The InChIKey is VOXUTKXZEYBRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2)6-7-4-8(12)5-9(13-3)10(7)14-11/h4-5H,6,12H2,1-3H3.
What are the key properties of 7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-amine?
7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-amine has a molecular weight of 193.25 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 84772789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).