8-(benzylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol

C24H26N2O — CID 118711254

IUPAC8-(benzylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SMILESCN1CCc2cc(NCc3ccccc3)c(O)cc2C(c2ccccc2)C1
InChIInChI=1S/C24H26N2O/c1-26-13-12-20-14-23(25-16-18-8-4-2-5-9-18)24(27)15-21(20)22(17-26)19-10-6-3-7-11-19/h2-11,14-15,22,25,27H,12-13,16-17H2,1H3
InChIKeyCIGXEMMADCNHCG-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.62
Rot. Bonds4

About 8-(benzylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol

8-(benzylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol (PubChem CID 118711254) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 8-(benzylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol.

Molecular Properties

Compound Name8-(benzylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
PubChem CID118711254
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name8-(benzylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SMILESCN1CCc2cc(NCc3ccccc3)c(O)cc2C(c2ccccc2)C1
InChIInChI=1S/C24H26N2O/c1-26-13-12-20-14-23(25-16-18-8-4-2-5-9-18)24(27)15-21(20)22(17-26)19-10-6-3-7-11-19/h2-11,14-15,22,25,27H,12-13,16-17H2,1H3
InChIKeyCIGXEMMADCNHCG-UHFFFAOYSA-N
XLogP4.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.62
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 8-(benzylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The IUPAC name of 8-(benzylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol (CID 118711254) is 8-(benzylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol.
What is the SMILES notation for 8-(benzylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The canonical SMILES for 8-(benzylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is CN1CCc2cc(NCc3ccccc3)c(O)cc2C(c2ccccc2)C1.
What is the InChIKey of 8-(benzylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The InChIKey is CIGXEMMADCNHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-26-13-12-20-14-23(25-16-18-8-4-2-5-9-18)24(27)15-21(20)22(17-26)19-10-6-3-7-11-19/h2-11,14-15,22,25,27H,12-13,16-17H2,1H3.
What are the key properties of 8-(benzylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
8-(benzylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol has a molecular weight of 358.49 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzylamino)-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is sourced from PubChem (CID 118711254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).