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

C25H28N2O — CID 118711257

IUPAC3-methyl-8-[(2-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SMILESCc1ccccc1CNc1cc2c(cc1O)C(c1ccccc1)CN(C)CC2
InChIInChI=1S/C25H28N2O/c1-18-8-6-7-11-21(18)16-26-24-14-20-12-13-27(2)17-23(22(20)15-25(24)28)19-9-4-3-5-10-19/h3-11,14-15,23,26,28H,12-13,16-17H2,1-2H3
InChIKeyGMNXWFJVOXRYKI-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.93
Rot. Bonds4

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

3-methyl-8-[(2-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol (PubChem CID 118711257) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 3-methyl-8-[(2-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol.

Molecular Properties

Compound Name3-methyl-8-[(2-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
PubChem CID118711257
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name3-methyl-8-[(2-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SMILESCc1ccccc1CNc1cc2c(cc1O)C(c1ccccc1)CN(C)CC2
InChIInChI=1S/C25H28N2O/c1-18-8-6-7-11-21(18)16-26-24-14-20-12-13-27(2)17-23(22(20)15-25(24)28)19-9-4-3-5-10-19/h3-11,14-15,23,26,28H,12-13,16-17H2,1-2H3
InChIKeyGMNXWFJVOXRYKI-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[(2-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The IUPAC name of 3-methyl-8-[(2-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol (CID 118711257) is 3-methyl-8-[(2-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol.
What is the SMILES notation for 3-methyl-8-[(2-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The canonical SMILES for 3-methyl-8-[(2-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is Cc1ccccc1CNc1cc2c(cc1O)C(c1ccccc1)CN(C)CC2.
What is the InChIKey of 3-methyl-8-[(2-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The InChIKey is GMNXWFJVOXRYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-18-8-6-7-11-21(18)16-26-24-14-20-12-13-27(2)17-23(22(20)15-25(24)28)19-9-4-3-5-10-19/h3-11,14-15,23,26,28H,12-13,16-17H2,1-2H3.
What are the key properties of 3-methyl-8-[(2-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
3-methyl-8-[(2-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-[(2-methylphenyl)methylamino]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is sourced from PubChem (CID 118711257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).