2-[(benzylamino)methyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine

C20H26N2O — CID 10425530

IUPAC2-[(benzylamino)methyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CNCc1ccccc1)O2
InChIInChI=1S/C20H26N2O/c1-13-14(2)19-17(15(3)18(13)21)10-20(4,23-19)12-22-11-16-8-6-5-7-9-16/h5-9,22H,10-12,21H2,1-4H3
InChIKeyYMZYWKQTPFILIH-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.68
Rot. Bonds4

About 2-[(benzylamino)methyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine

2-[(benzylamino)methyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine (PubChem CID 10425530) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[(benzylamino)methyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2-[(benzylamino)methyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
PubChem CID10425530
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-[(benzylamino)methyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CNCc1ccccc1)O2
InChIInChI=1S/C20H26N2O/c1-13-14(2)19-17(15(3)18(13)21)10-20(4,23-19)12-22-11-16-8-6-5-7-9-16/h5-9,22H,10-12,21H2,1-4H3
InChIKeyYMZYWKQTPFILIH-UHFFFAOYSA-N
XLogP3.68
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.68
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-[(benzylamino)methyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
The IUPAC name of 2-[(benzylamino)methyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine (CID 10425530) is 2-[(benzylamino)methyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2-[(benzylamino)methyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
The canonical SMILES for 2-[(benzylamino)methyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine is Cc1c(C)c2c(c(C)c1N)CC(C)(CNCc1ccccc1)O2.
What is the InChIKey of 2-[(benzylamino)methyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
The InChIKey is YMZYWKQTPFILIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-13-14(2)19-17(15(3)18(13)21)10-20(4,23-19)12-22-11-16-8-6-5-7-9-16/h5-9,22H,10-12,21H2,1-4H3.
What are the key properties of 2-[(benzylamino)methyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine?
2-[(benzylamino)methyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine has a molecular weight of 310.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(benzylamino)methyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10425530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).