1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione

C14H15F3N2O2 — CID 115911055

IUPAC1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(c2ccc(C(F)(F)F)cc2CN)C1=O
InChIInChI=1S/C14H15F3N2O2/c1-13(2)6-11(20)19(12(13)21)10-4-3-9(14(15,16)17)5-8(10)7-18/h3-5H,6-7,18H2,1-2H3
InChIKeyWWHZOBYDUCDKPF-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.45
Rot. Bonds2

About 1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione

1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 115911055) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID115911055
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(c2ccc(C(F)(F)F)cc2CN)C1=O
InChIInChI=1S/C14H15F3N2O2/c1-13(2)6-11(20)19(12(13)21)10-4-3-9(14(15,16)17)5-8(10)7-18/h3-5H,6-7,18H2,1-2H3
InChIKeyWWHZOBYDUCDKPF-UHFFFAOYSA-N
XLogP2.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione (CID 115911055) is 1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)CC(=O)N(c2ccc(C(F)(F)F)cc2CN)C1=O.
What is the InChIKey of 1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is WWHZOBYDUCDKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-13(2)6-11(20)19(12(13)21)10-4-3-9(14(15,16)17)5-8(10)7-18/h3-5H,6-7,18H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione?
1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 300.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 115911055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).