(4-ethenylphenyl)methyl-triethylazanium bromide

C15H24BrN — CID 11437971

IUPAC(4-ethenylphenyl)methyl-triethylazanium bromide
SMILESC=Cc1ccc(C[N+](CC)(CC)CC)cc1.[Br-]
InChIInChI=1S/C15H24N.BrH/c1-5-14-9-11-15(12-10-14)13-16(6-2,7-3)8-4;/h5,9-12H,1,6-8,13H2,2-4H3;1H/q+1;/p-1
InChIKeyOFLYDFKSAGURFG-UHFFFAOYSA-M
MW298.27 g/mol
LogP0.71
Rot. Bonds6

About (4-ethenylphenyl)methyl-triethylazanium bromide

(4-ethenylphenyl)methyl-triethylazanium bromide (PubChem CID 11437971) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is (4-ethenylphenyl)methyl-triethylazanium bromide.

Molecular Properties

Compound Name(4-ethenylphenyl)methyl-triethylazanium bromide
PubChem CID11437971
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name(4-ethenylphenyl)methyl-triethylazanium bromide
SMILESC=Cc1ccc(C[N+](CC)(CC)CC)cc1.[Br-]
InChIInChI=1S/C15H24N.BrH/c1-5-14-9-11-15(12-10-14)13-16(6-2,7-3)8-4;/h5,9-12H,1,6-8,13H2,2-4H3;1H/q+1;/p-1
InChIKeyOFLYDFKSAGURFG-UHFFFAOYSA-M
XLogP0.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 50.71
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

(4-ethenylphenyl)methyl-diethyl-octadecylazanium
CID 176773546
(3-amino-3-oxopropyl)-[(4-ethenylphenyl)methyl]-diethylazanium chloride
CID 18793272
[4-[[diethyl(prop-2-enyl)azaniumyl]methyl]phenyl]methyl-diethyl-prop-2-enylazanium bromide
CID 54610948
(4-ethenylphenyl)methyl-dimethyl-propylazanium bromide
CID 139678038
tris(3-aminopropyl)-[(4-ethenylphenyl)methyl]azanium
CID 87628846
tris(benzyl(triethyl)azanium);tribromide
CID 86596066
(4-ethenylphenyl)methyl-tris[2-(2-methoxyethoxy)ethyl]azanium
CID 86640937
triethyl-[(4-fluorophenyl)methyl]azanium
CID 178182552
triethyl-[(4-methylphenyl)methyl]azanium hydroxide
CID 23165760
benzyl(triethyl)azanium;prop-2-enamide;bromide
CID 88664409
azane;benzyl(triethyl)azanium;bromide;dihydrobromide
CID 172701063
1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)methyl-triethylazanium bromide?
The IUPAC name of (4-ethenylphenyl)methyl-triethylazanium bromide (CID 11437971) is (4-ethenylphenyl)methyl-triethylazanium bromide.
What is the SMILES notation for (4-ethenylphenyl)methyl-triethylazanium bromide?
The canonical SMILES for (4-ethenylphenyl)methyl-triethylazanium bromide is C=Cc1ccc(C[N+](CC)(CC)CC)cc1.[Br-].
What is the InChIKey of (4-ethenylphenyl)methyl-triethylazanium bromide?
The InChIKey is OFLYDFKSAGURFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H24N.BrH/c1-5-14-9-11-15(12-10-14)13-16(6-2,7-3)8-4;/h5,9-12H,1,6-8,13H2,2-4H3;1H/q+1;/p-1.
What are the key properties of (4-ethenylphenyl)methyl-triethylazanium bromide?
(4-ethenylphenyl)methyl-triethylazanium bromide has a molecular weight of 298.27 g/mol, XLogP of 0.71, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)methyl-triethylazanium bromide is sourced from PubChem (CID 11437971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).