4,6-diethyl-1-benzofuran-7-amine

C12H15NO — CID 118074596

IUPAC4,6-diethyl-1-benzofuran-7-amine
SMILESCCc1cc(CC)c2ccoc2c1N
InChIInChI=1S/C12H15NO/c1-3-8-7-9(4-2)11(13)12-10(8)5-6-14-12/h5-7H,3-4,13H2,1-2H3
InChIKeyIHIHEXCPJXGXMO-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.14
Rot. Bonds2

About 4,6-diethyl-1-benzofuran-7-amine

4,6-diethyl-1-benzofuran-7-amine (PubChem CID 118074596) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4,6-diethyl-1-benzofuran-7-amine.

Molecular Properties

Compound Name4,6-diethyl-1-benzofuran-7-amine
PubChem CID118074596
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4,6-diethyl-1-benzofuran-7-amine
SMILESCCc1cc(CC)c2ccoc2c1N
InChIInChI=1S/C12H15NO/c1-3-8-7-9(4-2)11(13)12-10(8)5-6-14-12/h5-7H,3-4,13H2,1-2H3
InChIKeyIHIHEXCPJXGXMO-UHFFFAOYSA-N
XLogP3.14
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-1-benzofuran-7-amine?
The IUPAC name of 4,6-diethyl-1-benzofuran-7-amine (CID 118074596) is 4,6-diethyl-1-benzofuran-7-amine.
What is the SMILES notation for 4,6-diethyl-1-benzofuran-7-amine?
The canonical SMILES for 4,6-diethyl-1-benzofuran-7-amine is CCc1cc(CC)c2ccoc2c1N.
What is the InChIKey of 4,6-diethyl-1-benzofuran-7-amine?
The InChIKey is IHIHEXCPJXGXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-8-7-9(4-2)11(13)12-10(8)5-6-14-12/h5-7H,3-4,13H2,1-2H3.
What are the key properties of 4,6-diethyl-1-benzofuran-7-amine?
4,6-diethyl-1-benzofuran-7-amine has a molecular weight of 189.26 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-1-benzofuran-7-amine is sourced from PubChem (CID 118074596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).