N-benzyl-1H-2-benzazepin-5-amine

C17H16N2 — CID 90138108

IUPACN-benzyl-1H-2-benzazepin-5-amine
SMILESC1=NCc2ccccc2C(NCc2ccccc2)=C1
InChIInChI=1S/C17H16N2/c1-2-6-14(7-3-1)12-19-17-10-11-18-13-15-8-4-5-9-16(15)17/h1-11,19H,12-13H2
InChIKeyALPBTYYKZWCZRO-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.40
Rot. Bonds3

About N-benzyl-1H-2-benzazepin-5-amine

N-benzyl-1H-2-benzazepin-5-amine (PubChem CID 90138108) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-benzyl-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-benzyl-1H-2-benzazepin-5-amine
PubChem CID90138108
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC NameN-benzyl-1H-2-benzazepin-5-amine
SMILESC1=NCc2ccccc2C(NCc2ccccc2)=C1
InChIInChI=1S/C17H16N2/c1-2-6-14(7-3-1)12-19-17-10-11-18-13-15-8-4-5-9-16(15)17/h1-11,19H,12-13H2
InChIKeyALPBTYYKZWCZRO-UHFFFAOYSA-N
XLogP3.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-1H-2-benzazepin-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-1H-2-benzazepin-5-amine?
The IUPAC name of N-benzyl-1H-2-benzazepin-5-amine (CID 90138108) is N-benzyl-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-benzyl-1H-2-benzazepin-5-amine?
The canonical SMILES for N-benzyl-1H-2-benzazepin-5-amine is C1=NCc2ccccc2C(NCc2ccccc2)=C1.
What is the InChIKey of N-benzyl-1H-2-benzazepin-5-amine?
The InChIKey is ALPBTYYKZWCZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-2-6-14(7-3-1)12-19-17-10-11-18-13-15-8-4-5-9-16(15)17/h1-11,19H,12-13H2.
What are the key properties of N-benzyl-1H-2-benzazepin-5-amine?
N-benzyl-1H-2-benzazepin-5-amine has a molecular weight of 248.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1H-2-benzazepin-5-amine is sourced from PubChem (CID 90138108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).