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

C18H28N2O — CID 10613374

IUPAC2,4,6,7-tetramethyl-2-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CN1CCCCC1)O2
InChIInChI=1S/C18H28N2O/c1-12-13(2)17-15(14(3)16(12)19)10-18(4,21-17)11-20-8-6-5-7-9-20/h5-11,19H2,1-4H3
InChIKeyDMYYKBFFYIZLGP-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.37
Rot. Bonds2

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

2,4,6,7-tetramethyl-2-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine (PubChem CID 10613374) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2,4,6,7-tetramethyl-2-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2,4,6,7-tetramethyl-2-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine
PubChem CID10613374
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2,4,6,7-tetramethyl-2-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CN1CCCCC1)O2
InChIInChI=1S/C18H28N2O/c1-12-13(2)17-15(14(3)16(12)19)10-18(4,21-17)11-20-8-6-5-7-9-20/h5-11,19H2,1-4H3
InChIKeyDMYYKBFFYIZLGP-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Lipid peroxidation inhibitor 1
CID 9863888
5-Amino-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran
CID 10035862
2,4,6,7-tetramethyl-2-[(4-phenylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine
CID 10248292
2-[(benzylamino)methyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
CID 10425530
2,2,4,6-tetramethyl-7-(2-methylpropyl)-3H-1-benzofuran-5-amine
CID 10610515
2,4,6,7-tetramethyl-2-(morpholin-4-ylmethyl)-3H-1-benzofuran-5-amine
CID 10661194
2-(anilinomethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
CID 10661648
2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine
CID 10681821
2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine
CID 10729182
2,4,6,7-tetramethyl-2-[(2-phenylethylamino)methyl]-3H-1-benzofuran-5-amine
CID 10758352
2,4,6,7-tetramethyl-2-[(4-phenylbutylamino)methyl]-3H-1-benzofuran-5-amine
CID 10784222
2-[(4-benzhydrylpiperazin-1-yl)methyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
CID 10813650

Frequently Asked Questions

What is the IUPAC name of 2,4,6,7-tetramethyl-2-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine?
The IUPAC name of 2,4,6,7-tetramethyl-2-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine (CID 10613374) is 2,4,6,7-tetramethyl-2-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2,4,6,7-tetramethyl-2-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine?
The canonical SMILES for 2,4,6,7-tetramethyl-2-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine is Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CCCCC1)O2.
What is the InChIKey of 2,4,6,7-tetramethyl-2-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine?
The InChIKey is DMYYKBFFYIZLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12-13(2)17-15(14(3)16(12)19)10-18(4,21-17)11-20-8-6-5-7-9-20/h5-11,19H2,1-4H3.
What are the key properties of 2,4,6,7-tetramethyl-2-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine?
2,4,6,7-tetramethyl-2-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine has a molecular weight of 288.43 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,7-tetramethyl-2-(piperidin-1-ylmethyl)-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10613374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).