6-ethyl-4-methyl-1-benzofuran-7-amine

C11H13NO — CID 90089126

IUPAC6-ethyl-4-methyl-1-benzofuran-7-amine
SMILESCCc1cc(C)c2ccoc2c1N
InChIInChI=1S/C11H13NO/c1-3-8-6-7(2)9-4-5-13-11(9)10(8)12/h4-6H,3,12H2,1-2H3
InChIKeyZERFULWALBWOIL-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.89
Rot. Bonds1

About 6-ethyl-4-methyl-1-benzofuran-7-amine

6-ethyl-4-methyl-1-benzofuran-7-amine (PubChem CID 90089126) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 6-ethyl-4-methyl-1-benzofuran-7-amine.

Molecular Properties

Compound Name6-ethyl-4-methyl-1-benzofuran-7-amine
PubChem CID90089126
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name6-ethyl-4-methyl-1-benzofuran-7-amine
SMILESCCc1cc(C)c2ccoc2c1N
InChIInChI=1S/C11H13NO/c1-3-8-6-7(2)9-4-5-13-11(9)10(8)12/h4-6H,3,12H2,1-2H3
InChIKeyZERFULWALBWOIL-UHFFFAOYSA-N
XLogP2.89
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.89
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 6-ethyl-4-methyl-1-benzofuran-7-amine?
The IUPAC name of 6-ethyl-4-methyl-1-benzofuran-7-amine (CID 90089126) is 6-ethyl-4-methyl-1-benzofuran-7-amine.
What is the SMILES notation for 6-ethyl-4-methyl-1-benzofuran-7-amine?
The canonical SMILES for 6-ethyl-4-methyl-1-benzofuran-7-amine is CCc1cc(C)c2ccoc2c1N.
What is the InChIKey of 6-ethyl-4-methyl-1-benzofuran-7-amine?
The InChIKey is ZERFULWALBWOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-8-6-7(2)9-4-5-13-11(9)10(8)12/h4-6H,3,12H2,1-2H3.
What are the key properties of 6-ethyl-4-methyl-1-benzofuran-7-amine?
6-ethyl-4-methyl-1-benzofuran-7-amine has a molecular weight of 175.23 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-methyl-1-benzofuran-7-amine is sourced from PubChem (CID 90089126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).