2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine

C12H18N2O — CID 10488508

IUPAC2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine
SMILESCc1c(C)c2c(c(N)c1N)CC(C)(C)O2
InChIInChI=1S/C12H18N2O/c1-6-7(2)11-8(10(14)9(6)13)5-12(3,4)15-11/h5,13-14H2,1-4H3
InChIKeyGDVAPUIOQMHZIC-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.18
Rot. Bonds

About 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine

2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine (PubChem CID 10488508) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine.

Molecular Properties

Compound Name2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine
PubChem CID10488508
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine
SMILESCc1c(C)c2c(c(N)c1N)CC(C)(C)O2
InChIInChI=1S/C12H18N2O/c1-6-7(2)11-8(10(14)9(6)13)5-12(3,4)15-11/h5,13-14H2,1-4H3
InChIKeyGDVAPUIOQMHZIC-UHFFFAOYSA-N
XLogP2.18
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.18
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 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine?
The IUPAC name of 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine (CID 10488508) is 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine.
What is the SMILES notation for 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine?
The canonical SMILES for 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine is Cc1c(C)c2c(c(N)c1N)CC(C)(C)O2.
What is the InChIKey of 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine?
The InChIKey is GDVAPUIOQMHZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-6-7(2)11-8(10(14)9(6)13)5-12(3,4)15-11/h5,13-14H2,1-4H3.
What are the key properties of 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine?
2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine has a molecular weight of 206.29 g/mol, XLogP of 2.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine is sourced from PubChem (CID 10488508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).