2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine

C12H17NO — CID 10932259

IUPAC2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine
SMILESCc1cc(C)c2c(c1N)OC(C)(C)C2
InChIInChI=1S/C12H17NO/c1-7-5-8(2)10(13)11-9(7)6-12(3,4)14-11/h5H,6,13H2,1-4H3
InChIKeyBPUYIBZSFQGKIR-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.60
Rot. Bonds

About 2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine

2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine (PubChem CID 10932259) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine.

Molecular Properties

Compound Name2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine
PubChem CID10932259
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine
SMILESCc1cc(C)c2c(c1N)OC(C)(C)C2
InChIInChI=1S/C12H17NO/c1-7-5-8(2)10(13)11-9(7)6-12(3,4)14-11/h5H,6,13H2,1-4H3
InChIKeyBPUYIBZSFQGKIR-UHFFFAOYSA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.60
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 2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine?
The IUPAC name of 2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine (CID 10932259) is 2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine.
What is the SMILES notation for 2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine?
The canonical SMILES for 2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine is Cc1cc(C)c2c(c1N)OC(C)(C)C2.
What is the InChIKey of 2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine?
The InChIKey is BPUYIBZSFQGKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-7-5-8(2)10(13)11-9(7)6-12(3,4)14-11/h5H,6,13H2,1-4H3.
What are the key properties of 2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine?
2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine has a molecular weight of 191.27 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6-tetramethyl-3H-1-benzofuran-7-amine is sourced from PubChem (CID 10932259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).