2,2,4,6,7-pentamethyl-3-phenyl-3H-1-benzofuran-5-amine

C19H23NO — CID 10540798

IUPAC2,2,4,6,7-pentamethyl-3-phenyl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)C(c1ccccc1)C(C)(C)O2
InChIInChI=1S/C19H23NO/c1-11-12(2)18-15(13(3)17(11)20)16(19(4,5)21-18)14-9-7-6-8-10-14/h6-10,16H,20H2,1-5H3
InChIKeySGDBHGCJJOFAOM-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.50
Rot. Bonds1

About 2,2,4,6,7-pentamethyl-3-phenyl-3H-1-benzofuran-5-amine

2,2,4,6,7-pentamethyl-3-phenyl-3H-1-benzofuran-5-amine (PubChem CID 10540798) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2,2,4,6,7-pentamethyl-3-phenyl-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2,2,4,6,7-pentamethyl-3-phenyl-3H-1-benzofuran-5-amine
PubChem CID10540798
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2,2,4,6,7-pentamethyl-3-phenyl-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)C(c1ccccc1)C(C)(C)O2
InChIInChI=1S/C19H23NO/c1-11-12(2)18-15(13(3)17(11)20)16(19(4,5)21-18)14-9-7-6-8-10-14/h6-10,16H,20H2,1-5H3
InChIKeySGDBHGCJJOFAOM-UHFFFAOYSA-N
XLogP4.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,4,6,7-pentamethyl-3-phenyl-3H-1-benzofuran-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,7-pentamethyl-3-phenyl-3H-1-benzofuran-5-amine?
The IUPAC name of 2,2,4,6,7-pentamethyl-3-phenyl-3H-1-benzofuran-5-amine (CID 10540798) is 2,2,4,6,7-pentamethyl-3-phenyl-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2,2,4,6,7-pentamethyl-3-phenyl-3H-1-benzofuran-5-amine?
The canonical SMILES for 2,2,4,6,7-pentamethyl-3-phenyl-3H-1-benzofuran-5-amine is Cc1c(C)c2c(c(C)c1N)C(c1ccccc1)C(C)(C)O2.
What is the InChIKey of 2,2,4,6,7-pentamethyl-3-phenyl-3H-1-benzofuran-5-amine?
The InChIKey is SGDBHGCJJOFAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-11-12(2)18-15(13(3)17(11)20)16(19(4,5)21-18)14-9-7-6-8-10-14/h6-10,16H,20H2,1-5H3.
What are the key properties of 2,2,4,6,7-pentamethyl-3-phenyl-3H-1-benzofuran-5-amine?
2,2,4,6,7-pentamethyl-3-phenyl-3H-1-benzofuran-5-amine has a molecular weight of 281.40 g/mol, XLogP of 4.50, 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-phenyl-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10540798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).