2,5-dimethyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one

C13H18N2O — CID 23554417

IUPAC2,5-dimethyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one
SMILESCNC1C(=O)N(C)Cc2ccccc2C1C
InChIInChI=1S/C13H18N2O/c1-9-11-7-5-4-6-10(11)8-15(3)13(16)12(9)14-2/h4-7,9,12,14H,8H2,1-3H3
InChIKeyTYFCPOWHEMCOLB-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.35
Rot. Bonds1

About 2,5-dimethyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one

2,5-dimethyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one (PubChem CID 23554417) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2,5-dimethyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one.

Molecular Properties

Compound Name2,5-dimethyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one
PubChem CID23554417
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2,5-dimethyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one
SMILESCNC1C(=O)N(C)Cc2ccccc2C1C
InChIInChI=1S/C13H18N2O/c1-9-11-7-5-4-6-10(11)8-15(3)13(16)12(9)14-2/h4-7,9,12,14H,8H2,1-3H3
InChIKeyTYFCPOWHEMCOLB-UHFFFAOYSA-N
XLogP1.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one 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 2,5-dimethyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one?
The IUPAC name of 2,5-dimethyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one (CID 23554417) is 2,5-dimethyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one.
What is the SMILES notation for 2,5-dimethyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one?
The canonical SMILES for 2,5-dimethyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one is CNC1C(=O)N(C)Cc2ccccc2C1C.
What is the InChIKey of 2,5-dimethyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one?
The InChIKey is TYFCPOWHEMCOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-11-7-5-4-6-10(11)8-15(3)13(16)12(9)14-2/h4-7,9,12,14H,8H2,1-3H3.
What are the key properties of 2,5-dimethyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one?
2,5-dimethyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one has a molecular weight of 218.30 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one is sourced from PubChem (CID 23554417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).