dibenzylazanium chloride

C14H16ClN — CID 30163

IUPACdibenzylazanium chloride
SMILES[Cl-].c1ccc(C[NH2+]Cc2ccccc2)cc1
InChIInChI=1S/C14H15N.ClH/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;/h1-10,15H,11-12H2;1H
InChIKeyQEUMNQFVAMSSNS-UHFFFAOYSA-N
MW233.74 g/mol
LogP-1.05
Rot. Bonds4

About dibenzylazanium chloride

dibenzylazanium chloride (PubChem CID 30163) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is dibenzylazanium chloride.

Molecular Properties

Compound Namedibenzylazanium chloride
PubChem CID30163
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Namedibenzylazanium chloride
SMILES[Cl-].c1ccc(C[NH2+]Cc2ccccc2)cc1
InChIInChI=1S/C14H15N.ClH/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;/h1-10,15H,11-12H2;1H
InChIKeyQEUMNQFVAMSSNS-UHFFFAOYSA-N
XLogP-1.05
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dibenzylazanium chloride?
The IUPAC name of dibenzylazanium chloride (CID 30163) is dibenzylazanium chloride.
What is the SMILES notation for dibenzylazanium chloride?
The canonical SMILES for dibenzylazanium chloride is [Cl-].c1ccc(C[NH2+]Cc2ccccc2)cc1.
What is the InChIKey of dibenzylazanium chloride?
The InChIKey is QEUMNQFVAMSSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.ClH/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;/h1-10,15H,11-12H2;1H.
What are the key properties of dibenzylazanium chloride?
dibenzylazanium chloride has a molecular weight of 233.74 g/mol, XLogP of -1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzylazanium chloride is sourced from PubChem (CID 30163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).