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

C16H25NO — CID 10610515

IUPAC2,2,4,6-tetramethyl-7-(2-methylpropyl)-3H-1-benzofuran-5-amine
SMILESCc1c(N)c(C)c2c(c1CC(C)C)OC(C)(C)C2
InChIInChI=1S/C16H25NO/c1-9(2)7-12-10(3)14(17)11(4)13-8-16(5,6)18-15(12)13/h9H,7-8,17H2,1-6H3
InChIKeyUCKYDXQCHMSNQH-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.80
Rot. Bonds2

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

2,2,4,6-tetramethyl-7-(2-methylpropyl)-3H-1-benzofuran-5-amine (PubChem CID 10610515) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2,2,4,6-tetramethyl-7-(2-methylpropyl)-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2,2,4,6-tetramethyl-7-(2-methylpropyl)-3H-1-benzofuran-5-amine
PubChem CID10610515
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2,2,4,6-tetramethyl-7-(2-methylpropyl)-3H-1-benzofuran-5-amine
SMILESCc1c(N)c(C)c2c(c1CC(C)C)OC(C)(C)C2
InChIInChI=1S/C16H25NO/c1-9(2)7-12-10(3)14(17)11(4)13-8-16(5,6)18-15(12)13/h9H,7-8,17H2,1-6H3
InChIKeyUCKYDXQCHMSNQH-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.80
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-methylpropyl)-3H-1-benzofuran-5-amine?
The IUPAC name of 2,2,4,6-tetramethyl-7-(2-methylpropyl)-3H-1-benzofuran-5-amine (CID 10610515) is 2,2,4,6-tetramethyl-7-(2-methylpropyl)-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2,2,4,6-tetramethyl-7-(2-methylpropyl)-3H-1-benzofuran-5-amine?
The canonical SMILES for 2,2,4,6-tetramethyl-7-(2-methylpropyl)-3H-1-benzofuran-5-amine is Cc1c(N)c(C)c2c(c1CC(C)C)OC(C)(C)C2.
What is the InChIKey of 2,2,4,6-tetramethyl-7-(2-methylpropyl)-3H-1-benzofuran-5-amine?
The InChIKey is UCKYDXQCHMSNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-9(2)7-12-10(3)14(17)11(4)13-8-16(5,6)18-15(12)13/h9H,7-8,17H2,1-6H3.
What are the key properties of 2,2,4,6-tetramethyl-7-(2-methylpropyl)-3H-1-benzofuran-5-amine?
2,2,4,6-tetramethyl-7-(2-methylpropyl)-3H-1-benzofuran-5-amine has a molecular weight of 247.38 g/mol, XLogP of 3.80, 2 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-methylpropyl)-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10610515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).