3-methyl-8-[(3-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol

C25H28N2O — CID 118711256

IUPAC3-methyl-8-[(3-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SMILESCc1cccc(CNc2cc3c(cc2O)C(c2ccccc2)CN(C)CC3)c1
InChIInChI=1S/C25H28N2O/c1-18-7-6-8-19(13-18)16-26-24-14-21-11-12-27(2)17-23(22(21)15-25(24)28)20-9-4-3-5-10-20/h3-10,13-15,23,26,28H,11-12,16-17H2,1-2H3
InChIKeyBJSBCWNGMVPHTE-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.93
Rot. Bonds4

About 3-methyl-8-[(3-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol

3-methyl-8-[(3-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol (PubChem CID 118711256) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 3-methyl-8-[(3-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol.

Molecular Properties

Compound Name3-methyl-8-[(3-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
PubChem CID118711256
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name3-methyl-8-[(3-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SMILESCc1cccc(CNc2cc3c(cc2O)C(c2ccccc2)CN(C)CC3)c1
InChIInChI=1S/C25H28N2O/c1-18-7-6-8-19(13-18)16-26-24-14-21-11-12-27(2)17-23(22(21)15-25(24)28)20-9-4-3-5-10-20/h3-10,13-15,23,26,28H,11-12,16-17H2,1-2H3
InChIKeyBJSBCWNGMVPHTE-UHFFFAOYSA-N
XLogP4.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-8-[(3-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol 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 3-methyl-8-[(3-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The IUPAC name of 3-methyl-8-[(3-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol (CID 118711256) is 3-methyl-8-[(3-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol.
What is the SMILES notation for 3-methyl-8-[(3-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The canonical SMILES for 3-methyl-8-[(3-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is Cc1cccc(CNc2cc3c(cc2O)C(c2ccccc2)CN(C)CC3)c1.
What is the InChIKey of 3-methyl-8-[(3-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The InChIKey is BJSBCWNGMVPHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-18-7-6-8-19(13-18)16-26-24-14-21-11-12-27(2)17-23(22(21)15-25(24)28)20-9-4-3-5-10-20/h3-10,13-15,23,26,28H,11-12,16-17H2,1-2H3.
What are the key properties of 3-methyl-8-[(3-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
3-methyl-8-[(3-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol has a molecular weight of 372.51 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[(3-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is sourced from PubChem (CID 118711256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).