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

C19H24N2O — CID 10661648

IUPAC2-(anilinomethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CNc1ccccc1)O2
InChIInChI=1S/C19H24N2O/c1-12-13(2)18-16(14(3)17(12)20)10-19(4,22-18)11-21-15-8-6-5-7-9-15/h5-9,21H,10-11,20H2,1-4H3
InChIKeyRZYLPSJIOLKZCT-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.00
Rot. Bonds3

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

2-(anilinomethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine (PubChem CID 10661648) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(anilinomethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2-(anilinomethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
PubChem CID10661648
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name2-(anilinomethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CNc1ccccc1)O2
InChIInChI=1S/C19H24N2O/c1-12-13(2)18-16(14(3)17(12)20)10-19(4,22-18)11-21-15-8-6-5-7-9-15/h5-9,21H,10-11,20H2,1-4H3
InChIKeyRZYLPSJIOLKZCT-UHFFFAOYSA-N
XLogP4.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
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-(anilinomethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
The IUPAC name of 2-(anilinomethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine (CID 10661648) is 2-(anilinomethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2-(anilinomethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
The canonical SMILES for 2-(anilinomethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine is Cc1c(C)c2c(c(C)c1N)CC(C)(CNc1ccccc1)O2.
What is the InChIKey of 2-(anilinomethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
The InChIKey is RZYLPSJIOLKZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-12-13(2)18-16(14(3)17(12)20)10-19(4,22-18)11-21-15-8-6-5-7-9-15/h5-9,21H,10-11,20H2,1-4H3.
What are the key properties of 2-(anilinomethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
2-(anilinomethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine has a molecular weight of 296.41 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(anilinomethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10661648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).