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

C18H28N2O — CID 10755817

IUPAC2,2,4,6-tetramethyl-7-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine
SMILESCc1c(N)c(C)c2c(c1CN1CCCCC1)OC(C)(C)C2
InChIInChI=1S/C18H28N2O/c1-12-14-10-18(3,4)21-17(14)15(13(2)16(12)19)11-20-8-6-5-7-9-20/h5-11,19H2,1-4H3
InChIKeyMAFYFUSUGDWJMX-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.59
Rot. Bonds2

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

2,2,4,6-tetramethyl-7-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine (PubChem CID 10755817) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2,2,4,6-tetramethyl-7-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2,2,4,6-tetramethyl-7-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine
PubChem CID10755817
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2,2,4,6-tetramethyl-7-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine
SMILESCc1c(N)c(C)c2c(c1CN1CCCCC1)OC(C)(C)C2
InChIInChI=1S/C18H28N2O/c1-12-14-10-18(3,4)21-17(14)15(13(2)16(12)19)11-20-8-6-5-7-9-20/h5-11,19H2,1-4H3
InChIKeyMAFYFUSUGDWJMX-UHFFFAOYSA-N
XLogP3.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
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 2,2,4,6-tetramethyl-7-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine?
The IUPAC name of 2,2,4,6-tetramethyl-7-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine (CID 10755817) is 2,2,4,6-tetramethyl-7-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2,2,4,6-tetramethyl-7-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine?
The canonical SMILES for 2,2,4,6-tetramethyl-7-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine is Cc1c(N)c(C)c2c(c1CN1CCCCC1)OC(C)(C)C2.
What is the InChIKey of 2,2,4,6-tetramethyl-7-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine?
The InChIKey is MAFYFUSUGDWJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12-14-10-18(3,4)21-17(14)15(13(2)16(12)19)11-20-8-6-5-7-9-20/h5-11,19H2,1-4H3.
What are the key properties of 2,2,4,6-tetramethyl-7-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine?
2,2,4,6-tetramethyl-7-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine has a molecular weight of 288.43 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6-tetramethyl-7-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10755817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).