triethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium

C22H30NO+ — CID 6604856

IUPACtriethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium
SMILESCC[N+](CC)(CC)CCOc1ccc(/C=C\c2ccccc2)cc1
InChIInChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12-
InChIKeyYIMFXBPXUPTIEJ-SEYXRHQNSA-N
MW324.49 g/mol
LogP5.11
Rot. Bonds9

About triethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium

triethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium (PubChem CID 6604856) has the molecular formula C22H30NO+ and a molecular weight of 324.49 g/mol. Its IUPAC name is triethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium.

Molecular Properties

Compound Nametriethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium
PubChem CID6604856
Molecular FormulaC22H30NO+
Molecular Weight324.49 g/mol
Exact Mass324.23
IUPAC Nametriethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium
SMILESCC[N+](CC)(CC)CCOc1ccc(/C=C\c2ccccc2)cc1
InChIInChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12-
InChIKeyYIMFXBPXUPTIEJ-SEYXRHQNSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.49
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[2-(4-methoxyphenyl)ethenyl]phenoxy]ethyl]azanium
CID 176732614
triethyl-[2-[4-[2-(4-hydroxyphenyl)ethenyl]phenoxy]ethyl]azanium
CID 176732616
triethyl-[2-[4-(2-naphthalen-1-ylethenyl)phenoxy]ethyl]azanium
CID 176732152
triethyl-[2-[2-[(E)-2-phenylethenyl]phenoxy]ethyl]azanium iodide
CID 20838079
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
triethyl(2-naphthalen-2-yloxyethyl)azanium bromide
CID 12889861
triethyl-[2-[2-(2-phenoxyethoxy)ethoxy]ethyl]azanium
CID 57258749
2-(4-tert-butylphenoxy)ethyl-triethylazanium
CID 3026407
1-(3-chloropropoxy)-4-[(E)-2-phenylethenyl]benzene
CID 23150283
triethyl-[2-(3-phenylprop-2-enoyloxy)ethyl]azanium
CID 123772067
triethyl-[2-[4-[1,2,2-tris[4-[2-(triethylazaniumyl)ethoxy]phenyl]ethenyl]phenoxy]ethyl]azanium
CID 44611206
1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene
CID 118960625

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium?
The IUPAC name of triethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium (CID 6604856) is triethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium.
What is the SMILES notation for triethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium?
The canonical SMILES for triethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium is CC[N+](CC)(CC)CCOc1ccc(/C=C\c2ccccc2)cc1.
What is the InChIKey of triethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium?
The InChIKey is YIMFXBPXUPTIEJ-SEYXRHQNSA-N. The full InChI is InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12-.
What are the key properties of triethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium?
triethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium has a molecular weight of 324.49 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-[4-[(Z)-2-phenylethenyl]phenoxy]ethyl]azanium is sourced from PubChem (CID 6604856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).