(2,4-dimethylphenyl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium

C19H21N2O2+ — CID 9279981

IUPAC(2,4-dimethylphenyl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium
SMILESCc1ccc(C[NH+](C)CN2C(=O)c3ccccc3C2=O)c(C)c1
InChIInChI=1S/C19H20N2O2/c1-13-8-9-15(14(2)10-13)11-20(3)12-21-18(22)16-6-4-5-7-17(16)19(21)23/h4-10H,11-12H2,1-3H3/p+1
InChIKeyXQVGNDZVEREYKW-UHFFFAOYSA-O
MW309.39 g/mol
LogP1.57
Rot. Bonds4

About (2,4-dimethylphenyl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium

(2,4-dimethylphenyl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium (PubChem CID 9279981) has the molecular formula C19H21N2O2+ and a molecular weight of 309.39 g/mol. Its IUPAC name is (2,4-dimethylphenyl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium.

Molecular Properties

Compound Name(2,4-dimethylphenyl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium
PubChem CID9279981
Molecular FormulaC19H21N2O2+
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name(2,4-dimethylphenyl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium
SMILESCc1ccc(C[NH+](C)CN2C(=O)c3ccccc3C2=O)c(C)c1
InChIInChI=1S/C19H20N2O2/c1-13-8-9-15(14(2)10-13)11-20(3)12-21-18(22)16-6-4-5-7-17(16)19(21)23/h4-10H,11-12H2,1-3H3/p+1
InChIKeyXQVGNDZVEREYKW-UHFFFAOYSA-O
XLogP1.57
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dimethylphenyl)methyl-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-methylazanium
CID 9280017
2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione
CID 5094148
benzyl-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-methylazanium
CID 7911038
(5-chlorothiophen-2-yl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium
CID 9171711
(1,3-dioxoisoindol-2-yl)methyl 2,4-dimethylbenzoate
CID 7373205
(2,4-dimethylphenyl)methyl-methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium
CID 8784734
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 8695677
2-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 71494022
benzyl-methyl-[(2-oxobenzo[cd]indol-1-yl)methyl]azanium
CID 9169350
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045226
2-[(4-methylphenyl)methyl]isoquinoline-1,3,4-trione
CID 177415175
2-[(2S)-2-hydroxy-3-(4-methylphenyl)propyl]isoindole-1,3-dione
CID 167611786

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium?
The IUPAC name of (2,4-dimethylphenyl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium (CID 9279981) is (2,4-dimethylphenyl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium.
What is the SMILES notation for (2,4-dimethylphenyl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium?
The canonical SMILES for (2,4-dimethylphenyl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium is Cc1ccc(C[NH+](C)CN2C(=O)c3ccccc3C2=O)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium?
The InChIKey is XQVGNDZVEREYKW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20N2O2/c1-13-8-9-15(14(2)10-13)11-20(3)12-21-18(22)16-6-4-5-7-17(16)19(21)23/h4-10H,11-12H2,1-3H3/p+1.
What are the key properties of (2,4-dimethylphenyl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium?
(2,4-dimethylphenyl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium has a molecular weight of 309.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium is sourced from PubChem (CID 9279981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).