1-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione

C15H20N2O2 — CID 65297333

IUPAC1-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(Cc2ccc(CCN)cc2)C1=O
InChIInChI=1S/C15H20N2O2/c1-15(2)9-13(18)17(14(15)19)10-12-5-3-11(4-6-12)7-8-16/h3-6H,7-10,16H2,1-2H3
InChIKeyLHDAKEUGBFHHDS-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.47
Rot. Bonds4

About 1-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione

1-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 65297333) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID65297333
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(Cc2ccc(CCN)cc2)C1=O
InChIInChI=1S/C15H20N2O2/c1-15(2)9-13(18)17(14(15)19)10-12-5-3-11(4-6-12)7-8-16/h3-6H,7-10,16H2,1-2H3
InChIKeyLHDAKEUGBFHHDS-UHFFFAOYSA-N
XLogP1.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.47
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-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione (CID 65297333) is 1-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)CC(=O)N(Cc2ccc(CCN)cc2)C1=O.
What is the InChIKey of 1-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is LHDAKEUGBFHHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2)9-13(18)17(14(15)19)10-12-5-3-11(4-6-12)7-8-16/h3-6H,7-10,16H2,1-2H3.
What are the key properties of 1-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione?
1-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 65297333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).