benzyl-diphenyl-propylazanium chloride

C22H24ClN — CID 20525509

IUPACbenzyl-diphenyl-propylazanium chloride
SMILESCCC[N+](Cc1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C22H24N.ClH/c1-2-18-23(21-14-8-4-9-15-21,22-16-10-5-11-17-22)19-20-12-6-3-7-13-20;/h3-17H,2,18-19H2,1H3;1H/q+1;/p-1
InChIKeyWSAOEQBVLKQNRY-UHFFFAOYSA-M
MW337.89 g/mol
LogP2.94
Rot. Bonds6

About benzyl-diphenyl-propylazanium chloride

benzyl-diphenyl-propylazanium chloride (PubChem CID 20525509) has the molecular formula C22H24ClN and a molecular weight of 337.89 g/mol. Its IUPAC name is benzyl-diphenyl-propylazanium chloride.

Molecular Properties

Compound Namebenzyl-diphenyl-propylazanium chloride
PubChem CID20525509
Molecular FormulaC22H24ClN
Molecular Weight337.89 g/mol
Exact Mass337.16
IUPAC Namebenzyl-diphenyl-propylazanium chloride
SMILESCCC[N+](Cc1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C22H24N.ClH/c1-2-18-23(21-14-8-4-9-15-21,22-16-10-5-11-17-22)19-20-12-6-3-7-13-20;/h3-17H,2,18-19H2,1H3;1H/q+1;/p-1
InChIKeyWSAOEQBVLKQNRY-UHFFFAOYSA-M
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl-diphenyl-propylazanium chloride
CID 70520322
dibenzyl(dipropyl)azanium iodide
CID 87776687
dibutyl(diphenyl)azanium chloride
CID 69306107
dibenzyl-ethyl-propylazanium
CID 130331727
benzyl-dimethyl-propylazanium;boranuide
CID 173258032
benzyl-dipropyl-undecylazanium chloride
CID 20525514
benzyl-dioctyl-propylazanium chloride
CID 88724211
benzyl(tributyl)azanium;chloride;hydrate
CID 141006059
benzyl(tripropyl)azanium;hydrogen sulfate
CID 19980668
dihexyl(diphenyl)azanium
CID 18362526
2-benzamidoethyl-benzyl-diphenylazanium
CID 19811112
benzyl-heptadecyl-dipropylazanium
CID 160895154

Frequently Asked Questions

What is the IUPAC name of benzyl-diphenyl-propylazanium chloride?
The IUPAC name of benzyl-diphenyl-propylazanium chloride (CID 20525509) is benzyl-diphenyl-propylazanium chloride.
What is the SMILES notation for benzyl-diphenyl-propylazanium chloride?
The canonical SMILES for benzyl-diphenyl-propylazanium chloride is CCC[N+](Cc1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of benzyl-diphenyl-propylazanium chloride?
The InChIKey is WSAOEQBVLKQNRY-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H24N.ClH/c1-2-18-23(21-14-8-4-9-15-21,22-16-10-5-11-17-22)19-20-12-6-3-7-13-20;/h3-17H,2,18-19H2,1H3;1H/q+1;/p-1.
What are the key properties of benzyl-diphenyl-propylazanium chloride?
benzyl-diphenyl-propylazanium chloride has a molecular weight of 337.89 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-diphenyl-propylazanium chloride is sourced from PubChem (CID 20525509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).