dibenzyl-methyl-(2-phenylmethoxyethyl)azanium

C24H28NO+ — CID 3094084

IUPACdibenzyl-methyl-(2-phenylmethoxyethyl)azanium
SMILESC[N+](CCOCc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H28NO/c1-25(19-22-11-5-2-6-12-22,20-23-13-7-3-8-14-23)17-18-26-21-24-15-9-4-10-16-24/h2-16H,17-21H2,1H3/q+1
InChIKeyMEKNAUAHBLOONK-UHFFFAOYSA-N
MW346.49 g/mol
LogP5.05
Rot. Bonds9

About dibenzyl-methyl-(2-phenylmethoxyethyl)azanium

dibenzyl-methyl-(2-phenylmethoxyethyl)azanium (PubChem CID 3094084) has the molecular formula C24H28NO+ and a molecular weight of 346.49 g/mol. Its IUPAC name is dibenzyl-methyl-(2-phenylmethoxyethyl)azanium.

Molecular Properties

Compound Namedibenzyl-methyl-(2-phenylmethoxyethyl)azanium
PubChem CID3094084
Molecular FormulaC24H28NO+
Molecular Weight346.49 g/mol
Exact Mass346.22
IUPAC Namedibenzyl-methyl-(2-phenylmethoxyethyl)azanium
SMILESC[N+](CCOCc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H28NO/c1-25(19-22-11-5-2-6-12-22,20-23-13-7-3-8-14-23)17-18-26-21-24-15-9-4-10-16-24/h2-16H,17-21H2,1H3/q+1
InChIKeyMEKNAUAHBLOONK-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.49
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

ethane;phenylmethoxymethylbenzene
CID 90943549
dibenzyl-ethyl-methylazanium
CID 87490135
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
ethane;2-phenylmethoxyethanamine
CID 142016503
CID 66734377
CID 66734377
2-iodoethoxymethylbenzene
CID 10355314
butoxymethylbenzene;ethane
CID 145341806
tribenzyl-[2-[2-[2-(tribenzylazaniumyl)ethoxy]ethoxy]ethyl]azanium dibromide
CID 44889286
2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine
CID 130536986
(213C)ethoxymethylbenzene
CID 87947851
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699

Frequently Asked Questions

What is the IUPAC name of dibenzyl-methyl-(2-phenylmethoxyethyl)azanium?
The IUPAC name of dibenzyl-methyl-(2-phenylmethoxyethyl)azanium (CID 3094084) is dibenzyl-methyl-(2-phenylmethoxyethyl)azanium.
What is the SMILES notation for dibenzyl-methyl-(2-phenylmethoxyethyl)azanium?
The canonical SMILES for dibenzyl-methyl-(2-phenylmethoxyethyl)azanium is C[N+](CCOCc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzyl-methyl-(2-phenylmethoxyethyl)azanium?
The InChIKey is MEKNAUAHBLOONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28NO/c1-25(19-22-11-5-2-6-12-22,20-23-13-7-3-8-14-23)17-18-26-21-24-15-9-4-10-16-24/h2-16H,17-21H2,1H3/q+1.
What are the key properties of dibenzyl-methyl-(2-phenylmethoxyethyl)azanium?
dibenzyl-methyl-(2-phenylmethoxyethyl)azanium has a molecular weight of 346.49 g/mol, XLogP of 5.05, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-methyl-(2-phenylmethoxyethyl)azanium is sourced from PubChem (CID 3094084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).