N-benzyl-4,6,7-trimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine

C24H25NO — CID 68707337

IUPACN-benzyl-4,6,7-trimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1NCc1ccccc1)C(c1ccccc1)CO2
InChIInChI=1S/C24H25NO/c1-16-17(2)24-22(21(15-26-24)20-12-8-5-9-13-20)18(3)23(16)25-14-19-10-6-4-7-11-19/h4-13,21,25H,14-15H2,1-3H3
InChIKeyNPLJQGQXPZSRTG-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.75
Rot. Bonds4

About N-benzyl-4,6,7-trimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine

N-benzyl-4,6,7-trimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 68707337) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is N-benzyl-4,6,7-trimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-benzyl-4,6,7-trimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine
PubChem CID68707337
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC NameN-benzyl-4,6,7-trimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1NCc1ccccc1)C(c1ccccc1)CO2
InChIInChI=1S/C24H25NO/c1-16-17(2)24-22(21(15-26-24)20-12-8-5-9-13-20)18(3)23(16)25-14-19-10-6-4-7-11-19/h4-13,21,25H,14-15H2,1-3H3
InChIKeyNPLJQGQXPZSRTG-UHFFFAOYSA-N
XLogP5.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-benzyl-4,6,7-trimethyl-3-phenyl-2,3-dihydro-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 N-benzyl-4,6,7-trimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-benzyl-4,6,7-trimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine (CID 68707337) is N-benzyl-4,6,7-trimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-benzyl-4,6,7-trimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-benzyl-4,6,7-trimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine is Cc1c(C)c2c(c(C)c1NCc1ccccc1)C(c1ccccc1)CO2.
What is the InChIKey of N-benzyl-4,6,7-trimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is NPLJQGQXPZSRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c1-16-17(2)24-22(21(15-26-24)20-12-8-5-9-13-20)18(3)23(16)25-14-19-10-6-4-7-11-19/h4-13,21,25H,14-15H2,1-3H3.
What are the key properties of N-benzyl-4,6,7-trimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine?
N-benzyl-4,6,7-trimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 343.47 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,6,7-trimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 68707337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).