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

C14H18N2O2 — CID 103500756

IUPAC1-[4-(1-aminoethyl)phenyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC(N)c1ccc(N2C(=O)C(C)C(C)C2=O)cc1
InChIInChI=1S/C14H18N2O2/c1-8-9(2)14(18)16(13(8)17)12-6-4-11(5-7-12)10(3)15/h4-10H,15H2,1-3H3
InChIKeyBMHFGXDJBQXGOL-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.85
Rot. Bonds2

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

1-[4-(1-aminoethyl)phenyl]-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 103500756) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)phenyl]-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)phenyl]-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID103500756
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[4-(1-aminoethyl)phenyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC(N)c1ccc(N2C(=O)C(C)C(C)C2=O)cc1
InChIInChI=1S/C14H18N2O2/c1-8-9(2)14(18)16(13(8)17)12-6-4-11(5-7-12)10(3)15/h4-10H,15H2,1-3H3
InChIKeyBMHFGXDJBQXGOL-UHFFFAOYSA-N
XLogP1.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yl-9-(4-propan-2-ylphenyl)-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
CID 145231126
2-[4-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenyl]ethanethioamide
CID 103500204
1-(3-amino-4-methoxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103499506
1-[4-[(1R)-1-aminoethyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463769
1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one
CID 50987521
4-[4-(1-aminoethyl)phenyl]-1H-1,2,4-triazol-5-one
CID 107410641
(1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 63369438
(3aR,7aS)-5,6-dimethyl-2-(4-propan-2-ylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6925867
1-[1-(4-aminophenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 103717754
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178939
4-(4-propan-2-ylphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 2872644

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3,4-dimethylpyrrolidine-2,5-dione (CID 103500756) is 1-[4-(1-aminoethyl)phenyl]-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(1-aminoethyl)phenyl]-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(1-aminoethyl)phenyl]-3,4-dimethylpyrrolidine-2,5-dione is CC(N)c1ccc(N2C(=O)C(C)C(C)C2=O)cc1.
What is the InChIKey of 1-[4-(1-aminoethyl)phenyl]-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is BMHFGXDJBQXGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-8-9(2)14(18)16(13(8)17)12-6-4-11(5-7-12)10(3)15/h4-10H,15H2,1-3H3.
What are the key properties of 1-[4-(1-aminoethyl)phenyl]-3,4-dimethylpyrrolidine-2,5-dione?
1-[4-(1-aminoethyl)phenyl]-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 246.31 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)phenyl]-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 103500756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).