dibenzyl(2-hydroxyethyl)azanium chloride

C16H20ClNO — CID 22656

IUPACdibenzyl(2-hydroxyethyl)azanium chloride
SMILESOCC[NH+](Cc1ccccc1)Cc1ccccc1.[Cl-]
InChIInChI=1S/C16H19NO.ClH/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;/h1-10,18H,11-14H2;1H
InChIKeyPQBZMZRNPFPTOD-UHFFFAOYSA-N
MW277.80 g/mol
LogP-1.73
Rot. Bonds6

About dibenzyl(2-hydroxyethyl)azanium chloride

dibenzyl(2-hydroxyethyl)azanium chloride (PubChem CID 22656) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is dibenzyl(2-hydroxyethyl)azanium chloride.

Molecular Properties

Compound Namedibenzyl(2-hydroxyethyl)azanium chloride
PubChem CID22656
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Namedibenzyl(2-hydroxyethyl)azanium chloride
SMILESOCC[NH+](Cc1ccccc1)Cc1ccccc1.[Cl-]
InChIInChI=1S/C16H19NO.ClH/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;/h1-10,18H,11-14H2;1H
InChIKeyPQBZMZRNPFPTOD-UHFFFAOYSA-N
XLogP-1.73
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dibenzyl(2-hydroxyethyl)azanium chloride?
The IUPAC name of dibenzyl(2-hydroxyethyl)azanium chloride (CID 22656) is dibenzyl(2-hydroxyethyl)azanium chloride.
What is the SMILES notation for dibenzyl(2-hydroxyethyl)azanium chloride?
The canonical SMILES for dibenzyl(2-hydroxyethyl)azanium chloride is OCC[NH+](Cc1ccccc1)Cc1ccccc1.[Cl-].
What is the InChIKey of dibenzyl(2-hydroxyethyl)azanium chloride?
The InChIKey is PQBZMZRNPFPTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;/h1-10,18H,11-14H2;1H.
What are the key properties of dibenzyl(2-hydroxyethyl)azanium chloride?
dibenzyl(2-hydroxyethyl)azanium chloride has a molecular weight of 277.80 g/mol, XLogP of -1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl(2-hydroxyethyl)azanium chloride is sourced from PubChem (CID 22656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).