4-ethyl-1-(1-phenylethyl)pyridin-1-ium bromide

C15H18BrN — CID 160870946

IUPAC4-ethyl-1-(1-phenylethyl)pyridin-1-ium bromide
SMILESCCc1cc[n+](C(C)c2ccccc2)cc1.[Br-]
InChIInChI=1S/C15H18N.BrH/c1-3-14-9-11-16(12-10-14)13(2)15-7-5-4-6-8-15;/h4-13H,3H2,1-2H3;1H/q+1;/p-1
InChIKeySLTAMIJLLPCIHI-UHFFFAOYSA-M
MW292.22 g/mol
LogP0.15
Rot. Bonds3

About 4-ethyl-1-(1-phenylethyl)pyridin-1-ium bromide

4-ethyl-1-(1-phenylethyl)pyridin-1-ium bromide (PubChem CID 160870946) has the molecular formula C15H18BrN and a molecular weight of 292.22 g/mol. Its IUPAC name is 4-ethyl-1-(1-phenylethyl)pyridin-1-ium bromide.

Molecular Properties

Compound Name4-ethyl-1-(1-phenylethyl)pyridin-1-ium bromide
PubChem CID160870946
Molecular FormulaC15H18BrN
Molecular Weight292.22 g/mol
Exact Mass291.06
IUPAC Name4-ethyl-1-(1-phenylethyl)pyridin-1-ium bromide
SMILESCCc1cc[n+](C(C)c2ccccc2)cc1.[Br-]
InChIInChI=1S/C15H18N.BrH/c1-3-14-9-11-16(12-10-14)13(2)15-7-5-4-6-8-15;/h4-13H,3H2,1-2H3;1H/q+1;/p-1
InChIKeySLTAMIJLLPCIHI-UHFFFAOYSA-M
XLogP0.15
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-phenylethyl)pyridin-1-ium bromide
CID 70404248
cumene;ethylbenzene;methane
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carbanide;ethylbenzene;2-methylpropane;ruthenium(2+)
CID 167712241
N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine
CID 43079999
ethane;ethylbenzene
CID 90887003
sulfanium ethylbenzene
CID 22726309
ethylbenzene;molybdenum
CID 161189179
1-(1-phenylpropyl)-4-propylpyridin-1-ium
CID 69394249
cumene;2-methylpropane;propane
CID 158125037

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1-phenylethyl)pyridin-1-ium bromide?
The IUPAC name of 4-ethyl-1-(1-phenylethyl)pyridin-1-ium bromide (CID 160870946) is 4-ethyl-1-(1-phenylethyl)pyridin-1-ium bromide.
What is the SMILES notation for 4-ethyl-1-(1-phenylethyl)pyridin-1-ium bromide?
The canonical SMILES for 4-ethyl-1-(1-phenylethyl)pyridin-1-ium bromide is CCc1cc[n+](C(C)c2ccccc2)cc1.[Br-].
What is the InChIKey of 4-ethyl-1-(1-phenylethyl)pyridin-1-ium bromide?
The InChIKey is SLTAMIJLLPCIHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H18N.BrH/c1-3-14-9-11-16(12-10-14)13(2)15-7-5-4-6-8-15;/h4-13H,3H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 4-ethyl-1-(1-phenylethyl)pyridin-1-ium bromide?
4-ethyl-1-(1-phenylethyl)pyridin-1-ium bromide has a molecular weight of 292.22 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1-phenylethyl)pyridin-1-ium bromide is sourced from PubChem (CID 160870946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).