5,6,11,12-tetrahydrobenzo[c][1]benzazocine;hydrochloride

C15H16ClN — CID 2724014

IUPAC5,6,11,12-tetrahydrobenzo[c][1]benzazocine;hydrochloride
SMILESCl.c1ccc2c(c1)CCc1ccccc1NC2
InChIInChI=1S/C15H15N.ClH/c1-2-7-14-11-16-15-8-4-3-6-13(15)10-9-12(14)5-1;/h1-8,16H,9-11H2;1H
InChIKeyUOKRHEQKLWSMMM-UHFFFAOYSA-N
MW245.75 g/mol
LogP3.82
Rot. Bonds

About 5,6,11,12-tetrahydrobenzo[c][1]benzazocine;hydrochloride

5,6,11,12-tetrahydrobenzo[c][1]benzazocine;hydrochloride (PubChem CID 2724014) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 5,6,11,12-tetrahydrobenzo[c][1]benzazocine;hydrochloride.

Molecular Properties

Compound Name5,6,11,12-tetrahydrobenzo[c][1]benzazocine;hydrochloride
PubChem CID2724014
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name5,6,11,12-tetrahydrobenzo[c][1]benzazocine;hydrochloride
SMILESCl.c1ccc2c(c1)CCc1ccccc1NC2
InChIInChI=1S/C15H15N.ClH/c1-2-7-14-11-16-15-8-4-3-6-13(15)10-9-12(14)5-1;/h1-8,16H,9-11H2;1H
InChIKeyUOKRHEQKLWSMMM-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,6,11,12-tetrahydrobenzo[c][1]benzazocine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Desipramine
CID 2995
Desipramine Hydrochloride
CID 65327
N-1-Naphthylethylenediamine dihydrochloride
CID 15106
N-(1-Naphthyl)ethylenediamine
CID 15107
N,N'-Di-o-tolylethylenediamine
CID 66759
Benzylaniline
CID 66028
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
4,4'-Methylenebis(N-methylaniline)
CID 15735
N-Ethyl-1-naphthalenamine
CID 67043
Didesmethylimipramine
CID 159642
N-(3-Methylphenyl)benzenemethanamine
CID 222281
1-(1-Naphthyl)piperazine hydrochloride
CID 2737391

Frequently Asked Questions

What is the IUPAC name of 5,6,11,12-tetrahydrobenzo[c][1]benzazocine;hydrochloride?
The IUPAC name of 5,6,11,12-tetrahydrobenzo[c][1]benzazocine;hydrochloride (CID 2724014) is 5,6,11,12-tetrahydrobenzo[c][1]benzazocine;hydrochloride.
What is the SMILES notation for 5,6,11,12-tetrahydrobenzo[c][1]benzazocine;hydrochloride?
The canonical SMILES for 5,6,11,12-tetrahydrobenzo[c][1]benzazocine;hydrochloride is Cl.c1ccc2c(c1)CCc1ccccc1NC2.
What is the InChIKey of 5,6,11,12-tetrahydrobenzo[c][1]benzazocine;hydrochloride?
The InChIKey is UOKRHEQKLWSMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N.ClH/c1-2-7-14-11-16-15-8-4-3-6-13(15)10-9-12(14)5-1;/h1-8,16H,9-11H2;1H.
What are the key properties of 5,6,11,12-tetrahydrobenzo[c][1]benzazocine;hydrochloride?
5,6,11,12-tetrahydrobenzo[c][1]benzazocine;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 3.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,11,12-tetrahydrobenzo[c][1]benzazocine;hydrochloride is sourced from PubChem (CID 2724014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).