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

C21H28N2O — CID 10758352

IUPAC2,4,6,7-tetramethyl-2-[(2-phenylethylamino)methyl]-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CNCCc1ccccc1)O2
InChIInChI=1S/C21H28N2O/c1-14-15(2)20-18(16(3)19(14)22)12-21(4,24-20)13-23-11-10-17-8-6-5-7-9-17/h5-9,23H,10-13,22H2,1-4H3
InChIKeySVYUWFBWBCAXED-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.72
Rot. Bonds5

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

2,4,6,7-tetramethyl-2-[(2-phenylethylamino)methyl]-3H-1-benzofuran-5-amine (PubChem CID 10758352) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 2,4,6,7-tetramethyl-2-[(2-phenylethylamino)methyl]-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2,4,6,7-tetramethyl-2-[(2-phenylethylamino)methyl]-3H-1-benzofuran-5-amine
PubChem CID10758352
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name2,4,6,7-tetramethyl-2-[(2-phenylethylamino)methyl]-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)CC(C)(CNCCc1ccccc1)O2
InChIInChI=1S/C21H28N2O/c1-14-15(2)20-18(16(3)19(14)22)12-21(4,24-20)13-23-11-10-17-8-6-5-7-9-17/h5-9,23H,10-13,22H2,1-4H3
InChIKeySVYUWFBWBCAXED-UHFFFAOYSA-N
XLogP3.72
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-phenylethylamino)methyl]-3H-1-benzofuran-5-amine?
The IUPAC name of 2,4,6,7-tetramethyl-2-[(2-phenylethylamino)methyl]-3H-1-benzofuran-5-amine (CID 10758352) is 2,4,6,7-tetramethyl-2-[(2-phenylethylamino)methyl]-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2,4,6,7-tetramethyl-2-[(2-phenylethylamino)methyl]-3H-1-benzofuran-5-amine?
The canonical SMILES for 2,4,6,7-tetramethyl-2-[(2-phenylethylamino)methyl]-3H-1-benzofuran-5-amine is Cc1c(C)c2c(c(C)c1N)CC(C)(CNCCc1ccccc1)O2.
What is the InChIKey of 2,4,6,7-tetramethyl-2-[(2-phenylethylamino)methyl]-3H-1-benzofuran-5-amine?
The InChIKey is SVYUWFBWBCAXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-14-15(2)20-18(16(3)19(14)22)12-21(4,24-20)13-23-11-10-17-8-6-5-7-9-17/h5-9,23H,10-13,22H2,1-4H3.
What are the key properties of 2,4,6,7-tetramethyl-2-[(2-phenylethylamino)methyl]-3H-1-benzofuran-5-amine?
2,4,6,7-tetramethyl-2-[(2-phenylethylamino)methyl]-3H-1-benzofuran-5-amine has a molecular weight of 324.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,7-tetramethyl-2-[(2-phenylethylamino)methyl]-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10758352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).