2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine

C16H23NO — CID 10681821

IUPAC2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine
SMILESCC(C)=Cc1c(C)c(N)c(C)c2c1OC(C)(C)C2
InChIInChI=1S/C16H23NO/c1-9(2)7-12-10(3)14(17)11(4)13-8-16(5,6)18-15(12)13/h7H,8,17H2,1-6H3
InChIKeyJMTXTEPTMRXQTL-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.02
Rot. Bonds1

About 2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine

2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine (PubChem CID 10681821) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine
PubChem CID10681821
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine
SMILESCC(C)=Cc1c(C)c(N)c(C)c2c1OC(C)(C)C2
InChIInChI=1S/C16H23NO/c1-9(2)7-12-10(3)14(17)11(4)13-8-16(5,6)18-15(12)13/h7H,8,17H2,1-6H3
InChIKeyJMTXTEPTMRXQTL-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.02
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-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine?
The IUPAC name of 2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine (CID 10681821) is 2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine?
The canonical SMILES for 2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine is CC(C)=Cc1c(C)c(N)c(C)c2c1OC(C)(C)C2.
What is the InChIKey of 2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine?
The InChIKey is JMTXTEPTMRXQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-9(2)7-12-10(3)14(17)11(4)13-8-16(5,6)18-15(12)13/h7H,8,17H2,1-6H3.
What are the key properties of 2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine?
2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine has a molecular weight of 245.37 g/mol, XLogP of 4.02, 1 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-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10681821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).