2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-3H-1-benzofuran-5-amine

C20H25NO — CID 10685309

IUPAC2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-3H-1-benzofuran-5-amine
SMILESCc1ccc(C2c3c(C)c(N)c(C)c(C)c3OC2(C)C)cc1
InChIInChI=1S/C20H25NO/c1-11-7-9-15(10-8-11)17-16-14(4)18(21)12(2)13(3)19(16)22-20(17,5)6/h7-10,17H,21H2,1-6H3
InChIKeyZTLPMYFAELUOEE-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.81
Rot. Bonds1

About 2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-3H-1-benzofuran-5-amine

2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-3H-1-benzofuran-5-amine (PubChem CID 10685309) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-3H-1-benzofuran-5-amine
PubChem CID10685309
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-3H-1-benzofuran-5-amine
SMILESCc1ccc(C2c3c(C)c(N)c(C)c(C)c3OC2(C)C)cc1
InChIInChI=1S/C20H25NO/c1-11-7-9-15(10-8-11)17-16-14(4)18(21)12(2)13(3)19(16)22-20(17,5)6/h7-10,17H,21H2,1-6H3
InChIKeyZTLPMYFAELUOEE-UHFFFAOYSA-N
XLogP4.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-3H-1-benzofuran-5-amine?
The IUPAC name of 2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-3H-1-benzofuran-5-amine (CID 10685309) is 2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-3H-1-benzofuran-5-amine?
The canonical SMILES for 2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-3H-1-benzofuran-5-amine is Cc1ccc(C2c3c(C)c(N)c(C)c(C)c3OC2(C)C)cc1.
What is the InChIKey of 2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-3H-1-benzofuran-5-amine?
The InChIKey is ZTLPMYFAELUOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-11-7-9-15(10-8-11)17-16-14(4)18(21)12(2)13(3)19(16)22-20(17,5)6/h7-10,17H,21H2,1-6H3.
What are the key properties of 2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-3H-1-benzofuran-5-amine?
2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-3H-1-benzofuran-5-amine has a molecular weight of 295.43 g/mol, XLogP of 4.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10685309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).