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

C19H30N2O — CID 10566307

IUPAC2,4,6,7-tetramethyl-2-(2-piperidin-1-ylethyl)-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CCN1CCCCC1)O2
InChIInChI=1S/C19H30N2O/c1-13-14(2)18-16(15(3)17(13)20)12-19(4,22-18)8-11-21-9-6-5-7-10-21/h5-12,20H2,1-4H3
InChIKeyRQSNVPXBKIEZKR-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.76
Rot. Bonds3

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

2,4,6,7-tetramethyl-2-(2-piperidin-1-ylethyl)-3H-1-benzofuran-5-amine (PubChem CID 10566307) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 2,4,6,7-tetramethyl-2-(2-piperidin-1-ylethyl)-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2,4,6,7-tetramethyl-2-(2-piperidin-1-ylethyl)-3H-1-benzofuran-5-amine
PubChem CID10566307
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name2,4,6,7-tetramethyl-2-(2-piperidin-1-ylethyl)-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CCN1CCCCC1)O2
InChIInChI=1S/C19H30N2O/c1-13-14(2)18-16(15(3)17(13)20)12-19(4,22-18)8-11-21-9-6-5-7-10-21/h5-12,20H2,1-4H3
InChIKeyRQSNVPXBKIEZKR-UHFFFAOYSA-N
XLogP3.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.76
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 2,4,6,7-tetramethyl-2-(2-piperidin-1-ylethyl)-3H-1-benzofuran-5-amine?
The IUPAC name of 2,4,6,7-tetramethyl-2-(2-piperidin-1-ylethyl)-3H-1-benzofuran-5-amine (CID 10566307) is 2,4,6,7-tetramethyl-2-(2-piperidin-1-ylethyl)-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2,4,6,7-tetramethyl-2-(2-piperidin-1-ylethyl)-3H-1-benzofuran-5-amine?
The canonical SMILES for 2,4,6,7-tetramethyl-2-(2-piperidin-1-ylethyl)-3H-1-benzofuran-5-amine is Cc1c(C)c2c(c(C)c1N)CC(C)(CCN1CCCCC1)O2.
What is the InChIKey of 2,4,6,7-tetramethyl-2-(2-piperidin-1-ylethyl)-3H-1-benzofuran-5-amine?
The InChIKey is RQSNVPXBKIEZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-13-14(2)18-16(15(3)17(13)20)12-19(4,22-18)8-11-21-9-6-5-7-10-21/h5-12,20H2,1-4H3.
What are the key properties of 2,4,6,7-tetramethyl-2-(2-piperidin-1-ylethyl)-3H-1-benzofuran-5-amine?
2,4,6,7-tetramethyl-2-(2-piperidin-1-ylethyl)-3H-1-benzofuran-5-amine has a molecular weight of 302.46 g/mol, XLogP of 3.76, 3 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-(2-piperidin-1-ylethyl)-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10566307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).