dimethoxy(diphenyl)azanium

C14H16NO2+ — CID 23216109

IUPACdimethoxy(diphenyl)azanium
SMILESCO[N+](OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16NO2/c1-16-15(17-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3/q+1
InChIKeyHJNKSKCAEZZZOL-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.45
Rot. Bonds4

About dimethoxy(diphenyl)azanium

dimethoxy(diphenyl)azanium (PubChem CID 23216109) has the molecular formula C14H16NO2+ and a molecular weight of 230.29 g/mol. Its IUPAC name is dimethoxy(diphenyl)azanium.

Molecular Properties

Compound Namedimethoxy(diphenyl)azanium
PubChem CID23216109
Molecular FormulaC14H16NO2+
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Namedimethoxy(diphenyl)azanium
SMILESCO[N+](OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16NO2/c1-16-15(17-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3/q+1
InChIKeyHJNKSKCAEZZZOL-UHFFFAOYSA-N
XLogP3.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methoxy-dimethyl-phenylazanium
CID 21248594
trimethyl(phenyl)azanium fluoride
CID 15787908
dimethyl-(113C)methyl-phenylazanium iodide
CID 11334548
dibutyl(diphenyl)azanium chloride
CID 69306107
dihexyl(diphenyl)azanium
CID 18362526
diheptyl(diphenyl)azanium iodide
CID 69308025
dihexyl(diphenyl)azanium iodide
CID 69305411
heptyl-nonyl-diphenylazanium hydroxide
CID 175510166
dioctyl(diphenyl)azanium bromide
CID 69327421
diphenyl-di(propan-2-yl)azanium
CID 70556389
dimethoxymethylbenzene;titanium
CID 87292758
chloroalumane;trimethyl(phenyl)azanium;chloride
CID 173074857

Frequently Asked Questions

What is the IUPAC name of dimethoxy(diphenyl)azanium?
The IUPAC name of dimethoxy(diphenyl)azanium (CID 23216109) is dimethoxy(diphenyl)azanium.
What is the SMILES notation for dimethoxy(diphenyl)azanium?
The canonical SMILES for dimethoxy(diphenyl)azanium is CO[N+](OC)(c1ccccc1)c1ccccc1.
What is the InChIKey of dimethoxy(diphenyl)azanium?
The InChIKey is HJNKSKCAEZZZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO2/c1-16-15(17-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3/q+1.
What are the key properties of dimethoxy(diphenyl)azanium?
dimethoxy(diphenyl)azanium has a molecular weight of 230.29 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy(diphenyl)azanium is sourced from PubChem (CID 23216109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).