1-[2-(aminomethyl)-6-methoxyphenyl]-3,3-dimethylpyrrolidine-2,5-dione

C14H18N2O3 — CID 107467227

IUPAC1-[2-(aminomethyl)-6-methoxyphenyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCOc1cccc(CN)c1N1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C14H18N2O3/c1-14(2)7-11(17)16(13(14)18)12-9(8-15)5-4-6-10(12)19-3/h4-6H,7-8,15H2,1-3H3
InChIKeyMYCZLOCEFBKFFZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.44
Rot. Bonds3

About 1-[2-(aminomethyl)-6-methoxyphenyl]-3,3-dimethylpyrrolidine-2,5-dione

1-[2-(aminomethyl)-6-methoxyphenyl]-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 107467227) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-6-methoxyphenyl]-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(aminomethyl)-6-methoxyphenyl]-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID107467227
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[2-(aminomethyl)-6-methoxyphenyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCOc1cccc(CN)c1N1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C14H18N2O3/c1-14(2)7-11(17)16(13(14)18)12-9(8-15)5-4-6-10(12)19-3/h4-6H,7-8,15H2,1-3H3
InChIKeyMYCZLOCEFBKFFZ-UHFFFAOYSA-N
XLogP1.44
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione
CID 107467220
2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-3-methoxybenzenecarbothioamide
CID 107468678
[2-(2-azaspiro[3.6]decan-2-yl)-3-methoxyphenyl]methanamine
CID 107467223
[2-(3-ethylazetidin-1-yl)-3-methoxyphenyl]methanamine
CID 107467236
1-[2-(aminomethyl)-3-fluorophenyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65298461
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
2-(aminomethyl)-6-methoxy-N-(methylsulfamoyl)aniline
CID 107466334
1-(3-amino-2-methylphenyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 65298123
[2-(3,3-dimethylbutan-2-yloxy)-3-methoxyphenyl]methanamine
CID 117052036
1-[(3-amino-2-fluorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 107347713
5-methoxy-4,4-dimethyl-2,3-dihydroisoquinolin-1-one
CID 82126298
2-[2-methoxy-6-(2-pyrrolidin-1-ylethyl)phenyl]isoindole-1,3-dione
CID 168519606

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-6-methoxyphenyl]-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(aminomethyl)-6-methoxyphenyl]-3,3-dimethylpyrrolidine-2,5-dione (CID 107467227) is 1-[2-(aminomethyl)-6-methoxyphenyl]-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(aminomethyl)-6-methoxyphenyl]-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(aminomethyl)-6-methoxyphenyl]-3,3-dimethylpyrrolidine-2,5-dione is COc1cccc(CN)c1N1C(=O)CC(C)(C)C1=O.
What is the InChIKey of 1-[2-(aminomethyl)-6-methoxyphenyl]-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is MYCZLOCEFBKFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2)7-11(17)16(13(14)18)12-9(8-15)5-4-6-10(12)19-3/h4-6H,7-8,15H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)-6-methoxyphenyl]-3,3-dimethylpyrrolidine-2,5-dione?
1-[2-(aminomethyl)-6-methoxyphenyl]-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-6-methoxyphenyl]-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 107467227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).