[2-(2,2-dimethylpropanoyl)phenyl]methyl-trimethylazanium

C15H24NO+ — CID 102198520

IUPAC[2-(2,2-dimethylpropanoyl)phenyl]methyl-trimethylazanium
SMILESCC(C)(C)C(=O)c1ccccc1C[N+](C)(C)C
InChIInChI=1S/C15H24NO/c1-15(2,3)14(17)13-10-8-7-9-12(13)11-16(4,5)6/h7-10H,11H2,1-6H3/q+1
InChIKeyRPCBUPGPHDMDJX-UHFFFAOYSA-N
MW234.36 g/mol
LogP3.12
Rot. Bonds3

About [2-(2,2-dimethylpropanoyl)phenyl]methyl-trimethylazanium

[2-(2,2-dimethylpropanoyl)phenyl]methyl-trimethylazanium (PubChem CID 102198520) has the molecular formula C15H24NO+ and a molecular weight of 234.36 g/mol. Its IUPAC name is [2-(2,2-dimethylpropanoyl)phenyl]methyl-trimethylazanium.

Molecular Properties

Compound Name[2-(2,2-dimethylpropanoyl)phenyl]methyl-trimethylazanium
PubChem CID102198520
Molecular FormulaC15H24NO+
Molecular Weight234.36 g/mol
Exact Mass234.19
IUPAC Name[2-(2,2-dimethylpropanoyl)phenyl]methyl-trimethylazanium
SMILESCC(C)(C)C(=O)c1ccccc1C[N+](C)(C)C
InChIInChI=1S/C15H24NO/c1-15(2,3)14(17)13-10-8-7-9-12(13)11-16(4,5)6/h7-10H,11H2,1-6H3/q+1
InChIKeyRPCBUPGPHDMDJX-UHFFFAOYSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methoxyacetyl)phenyl]methyl-trimethylazanium
CID 166437228
2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one
CID 116613271
1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one
CID 11586385
1-(2-ethylphenyl)-2,2-dimethylbutan-1-one
CID 146006575
1-(2-benzylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 159247184
bis((2-hydroxyphenyl)methyl-trimethylazanium);N-methylcarbamate;chloride
CID 173455266
(2-iodophenyl)methyl-trimethylazanium
CID 6453851
benzyl(trimethyl)azanium;2-hydroxybenzoic acid
CID 6708827
2-[[2-(2,2-dimethylpropanoyl)phenyl]disulfanyl]benzoic acid
CID 58554631
(2-chlorophenyl)methyl-trimethylazanium;trifluoromethanesulfonate
CID 175752034
2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 16680132
1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one
CID 114601747

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylpropanoyl)phenyl]methyl-trimethylazanium?
The IUPAC name of [2-(2,2-dimethylpropanoyl)phenyl]methyl-trimethylazanium (CID 102198520) is [2-(2,2-dimethylpropanoyl)phenyl]methyl-trimethylazanium.
What is the SMILES notation for [2-(2,2-dimethylpropanoyl)phenyl]methyl-trimethylazanium?
The canonical SMILES for [2-(2,2-dimethylpropanoyl)phenyl]methyl-trimethylazanium is CC(C)(C)C(=O)c1ccccc1C[N+](C)(C)C.
What is the InChIKey of [2-(2,2-dimethylpropanoyl)phenyl]methyl-trimethylazanium?
The InChIKey is RPCBUPGPHDMDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NO/c1-15(2,3)14(17)13-10-8-7-9-12(13)11-16(4,5)6/h7-10H,11H2,1-6H3/q+1.
What are the key properties of [2-(2,2-dimethylpropanoyl)phenyl]methyl-trimethylazanium?
[2-(2,2-dimethylpropanoyl)phenyl]methyl-trimethylazanium has a molecular weight of 234.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylpropanoyl)phenyl]methyl-trimethylazanium is sourced from PubChem (CID 102198520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).