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

C14H18N2O2 — CID 62501670

IUPAC1-[[4-(2-aminoethyl)phenyl]methyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(Cc2ccc(CCN)cc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-10-8-13(17)16(14(10)18)9-12-4-2-11(3-5-12)6-7-15/h2-5,10H,6-9,15H2,1H3
InChIKeyILGVIBGFJVMSNP-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.08
Rot. Bonds4

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

1-[[4-(2-aminoethyl)phenyl]methyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 62501670) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[[4-(2-aminoethyl)phenyl]methyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-(2-aminoethyl)phenyl]methyl]-3-methylpyrrolidine-2,5-dione
PubChem CID62501670
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[[4-(2-aminoethyl)phenyl]methyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(Cc2ccc(CCN)cc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-10-8-13(17)16(14(10)18)9-12-4-2-11(3-5-12)6-7-15/h2-5,10H,6-9,15H2,1H3
InChIKeyILGVIBGFJVMSNP-UHFFFAOYSA-N
XLogP1.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.08
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-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-(2-aminoethyl)phenyl]methyl]-3-methylpyrrolidine-2,5-dione (CID 62501670) is 1-[[4-(2-aminoethyl)phenyl]methyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-(2-aminoethyl)phenyl]methyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-(2-aminoethyl)phenyl]methyl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(Cc2ccc(CCN)cc2)C1=O.
What is the InChIKey of 1-[[4-(2-aminoethyl)phenyl]methyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is ILGVIBGFJVMSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-8-13(17)16(14(10)18)9-12-4-2-11(3-5-12)6-7-15/h2-5,10H,6-9,15H2,1H3.
What are the key properties of 1-[[4-(2-aminoethyl)phenyl]methyl]-3-methylpyrrolidine-2,5-dione?
1-[[4-(2-aminoethyl)phenyl]methyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 246.31 g/mol, XLogP of 1.08, 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-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 62501670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).