3-(4-chlorophenyl)-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride

C19H22Cl2N2 — CID 135417144

IUPAC3-(4-chlorophenyl)-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride
SMILESCCC/N=C1\Nc2ccccc2CCC1c1ccc(Cl)cc1.Cl
InChIInChI=1S/C19H21ClN2.ClH/c1-2-13-21-19-17(14-7-10-16(20)11-8-14)12-9-15-5-3-4-6-18(15)22-19;/h3-8,10-11,17H,2,9,12-13H2,1H3,(H,21,22);1H
InChIKeyONWFOWMXFNQWDY-UHFFFAOYSA-N
MW349.31 g/mol
LogP5.71
Rot. Bonds3

About 3-(4-chlorophenyl)-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride

3-(4-chlorophenyl)-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride (PubChem CID 135417144) has the molecular formula C19H22Cl2N2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride
PubChem CID135417144
Molecular FormulaC19H22Cl2N2
Molecular Weight349.31 g/mol
Exact Mass348.12
IUPAC Name3-(4-chlorophenyl)-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride
SMILESCCC/N=C1\Nc2ccccc2CCC1c1ccc(Cl)cc1.Cl
InChIInChI=1S/C19H21ClN2.ClH/c1-2-13-21-19-17(14-7-10-16(20)11-8-14)12-9-15-5-3-4-6-18(15)22-19;/h3-8,10-11,17H,2,9,12-13H2,1H3,(H,21,22);1H
InChIKeyONWFOWMXFNQWDY-UHFFFAOYSA-N
XLogP5.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.31
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(4-chlorophenyl)-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride 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-(4-chlorophenyl)-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride (CID 135417144) is 3-(4-chlorophenyl)-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride is CCC/N=C1\Nc2ccccc2CCC1c1ccc(Cl)cc1.Cl.
What is the InChIKey of 3-(4-chlorophenyl)-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride?
The InChIKey is ONWFOWMXFNQWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2.ClH/c1-2-13-21-19-17(14-7-10-16(20)11-8-14)12-9-15-5-3-4-6-18(15)22-19;/h3-8,10-11,17H,2,9,12-13H2,1H3,(H,21,22);1H.
What are the key properties of 3-(4-chlorophenyl)-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride?
3-(4-chlorophenyl)-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride has a molecular weight of 349.31 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-propyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine;hydrochloride is sourced from PubChem (CID 135417144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).