triethyl-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenoxy]ethyl]azanium

C23H32NO2+ — CID 176732614

IUPACtriethyl-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenoxy]ethyl]azanium
SMILESCC[N+](CC)(CC)CCOc1ccc(C=Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H32NO2/c1-5-24(6-2,7-3)18-19-26-23-16-12-21(13-17-23)9-8-20-10-14-22(25-4)15-11-20/h8-17H,5-7,18-19H2,1-4H3/q+1
InChIKeyIGCCBFHJLBUBDS-UHFFFAOYSA-N
MW354.51 g/mol
LogP5.12
Rot. Bonds10

About triethyl-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenoxy]ethyl]azanium

triethyl-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenoxy]ethyl]azanium (PubChem CID 176732614) has the molecular formula C23H32NO2+ and a molecular weight of 354.51 g/mol. Its IUPAC name is triethyl-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenoxy]ethyl]azanium.

Molecular Properties

Compound Nametriethyl-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenoxy]ethyl]azanium
PubChem CID176732614
Molecular FormulaC23H32NO2+
Molecular Weight354.51 g/mol
Exact Mass354.24
IUPAC Nametriethyl-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenoxy]ethyl]azanium
SMILESCC[N+](CC)(CC)CCOc1ccc(C=Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H32NO2/c1-5-24(6-2,7-3)18-19-26-23-16-12-21(13-17-23)9-8-20-10-14-22(25-4)15-11-20/h8-17H,5-7,18-19H2,1-4H3/q+1
InChIKeyIGCCBFHJLBUBDS-UHFFFAOYSA-N
XLogP5.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.51
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

triethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium
CID 6604856
triethyl-[2-[4-[2-(4-hydroxyphenyl)ethenyl]phenoxy]ethyl]azanium
CID 176732616
triethyl-[2-[4-(2-naphthalen-1-ylethenyl)phenoxy]ethyl]azanium
CID 176732152
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
2-(4-tert-butylphenoxy)ethyl-triethylazanium
CID 3026407
2-(4-methoxyphenoxy)ethyl-trimethylazanium
CID 3026734
triethyl-[2-[4-[1,2,2-tris[4-[2-(triethylazaniumyl)ethoxy]phenyl]ethenyl]phenoxy]ethyl]azanium
CID 44611206
1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 21449166
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-(2-ethoxyethoxy)-4-[(E)-2-[4-(2-ethoxyethoxy)phenyl]ethenyl]benzene
CID 134394196
triethyl-[2-[2-[(E)-2-phenylethenyl]phenoxy]ethyl]azanium iodide
CID 20838079
ethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 159851450

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenoxy]ethyl]azanium?
The IUPAC name of triethyl-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenoxy]ethyl]azanium (CID 176732614) is triethyl-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenoxy]ethyl]azanium.
What is the SMILES notation for triethyl-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenoxy]ethyl]azanium?
The canonical SMILES for triethyl-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenoxy]ethyl]azanium is CC[N+](CC)(CC)CCOc1ccc(C=Cc2ccc(OC)cc2)cc1.
What is the InChIKey of triethyl-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenoxy]ethyl]azanium?
The InChIKey is IGCCBFHJLBUBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32NO2/c1-5-24(6-2,7-3)18-19-26-23-16-12-21(13-17-23)9-8-20-10-14-22(25-4)15-11-20/h8-17H,5-7,18-19H2,1-4H3/q+1.
What are the key properties of triethyl-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenoxy]ethyl]azanium?
triethyl-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenoxy]ethyl]azanium has a molecular weight of 354.51 g/mol, XLogP of 5.12, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenoxy]ethyl]azanium is sourced from PubChem (CID 176732614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).