1,2-diphenylethyl-ethyl-dimethylazanium chloride

C18H24ClN — CID 175355972

IUPAC1,2-diphenylethyl-ethyl-dimethylazanium chloride
SMILESCC[N+](C)(C)C(Cc1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C18H24N.ClH/c1-4-19(2,3)18(17-13-9-6-10-14-17)15-16-11-7-5-8-12-16;/h5-14,18H,4,15H2,1-3H3;1H/q+1;/p-1
InChIKeyMTXFPOXKJIVYSD-UHFFFAOYSA-M
MW289.85 g/mol
LogP1.07
Rot. Bonds5

About 1,2-diphenylethyl-ethyl-dimethylazanium chloride

1,2-diphenylethyl-ethyl-dimethylazanium chloride (PubChem CID 175355972) has the molecular formula C18H24ClN and a molecular weight of 289.85 g/mol. Its IUPAC name is 1,2-diphenylethyl-ethyl-dimethylazanium chloride.

Molecular Properties

Compound Name1,2-diphenylethyl-ethyl-dimethylazanium chloride
PubChem CID175355972
Molecular FormulaC18H24ClN
Molecular Weight289.85 g/mol
Exact Mass289.16
IUPAC Name1,2-diphenylethyl-ethyl-dimethylazanium chloride
SMILESCC[N+](C)(C)C(Cc1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C18H24N.ClH/c1-4-19(2,3)18(17-13-9-6-10-14-17)15-16-11-7-5-8-12-16;/h5-14,18H,4,15H2,1-3H3;1H/q+1;/p-1
InChIKeyMTXFPOXKJIVYSD-UHFFFAOYSA-M
XLogP1.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 51.07
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

ethyl-dimethyl-(1-phenylundecyl)azanium chloride
CID 140807120
ethyl-dimethyl-(1-phenylnonyl)azanium chloride
CID 88733458
ethyl-dimethyl-(1-phenylpentadecyl)azanium
CID 87218313
ethyl-dimethyl-(1-phenyloctadecyl)azanium
CID 140807107
ethyl-dimethyl-(1-phenylhenicosyl)azanium
CID 140807119
dibutyl-(1,2-diphenylethyl)-ethenylazanium chloride
CID 88731072
[1-(4-chlorophenyl)-2-phenylethyl]-ethenyl-dimethylazanium chloride
CID 88761112
ethenyl-diethyl-[2-phenyl-1-(4-propan-2-ylphenyl)ethyl]azanium
CID 159427465
[ethoxy(phenyl)methyl]-ethyl-dimethylazanium;chloride;hydrate
CID 87575810
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
[ethoxy(phenyl)methyl]-ethyl-dimethylazanium
CID 87407327

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylethyl-ethyl-dimethylazanium chloride?
The IUPAC name of 1,2-diphenylethyl-ethyl-dimethylazanium chloride (CID 175355972) is 1,2-diphenylethyl-ethyl-dimethylazanium chloride.
What is the SMILES notation for 1,2-diphenylethyl-ethyl-dimethylazanium chloride?
The canonical SMILES for 1,2-diphenylethyl-ethyl-dimethylazanium chloride is CC[N+](C)(C)C(Cc1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of 1,2-diphenylethyl-ethyl-dimethylazanium chloride?
The InChIKey is MTXFPOXKJIVYSD-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H24N.ClH/c1-4-19(2,3)18(17-13-9-6-10-14-17)15-16-11-7-5-8-12-16;/h5-14,18H,4,15H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 1,2-diphenylethyl-ethyl-dimethylazanium chloride?
1,2-diphenylethyl-ethyl-dimethylazanium chloride has a molecular weight of 289.85 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylethyl-ethyl-dimethylazanium chloride is sourced from PubChem (CID 175355972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).