1-[1-(3-aminophenyl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C16H22N2O2 — CID 43437320

IUPAC1-[1-(3-aminophenyl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(c1cccc(N)c1)N1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C16H22N2O2/c1-10(2)16(4)9-14(19)18(15(16)20)11(3)12-6-5-7-13(17)8-12/h5-8,10-11H,9,17H2,1-4H3
InChIKeyYGTMHPODRYXCBA-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.75
Rot. Bonds3

About 1-[1-(3-aminophenyl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

1-[1-(3-aminophenyl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 43437320) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[1-(3-aminophenyl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-(3-aminophenyl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID43437320
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[1-(3-aminophenyl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(c1cccc(N)c1)N1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C16H22N2O2/c1-10(2)16(4)9-14(19)18(15(16)20)11(3)12-6-5-7-13(17)8-12/h5-8,10-11H,9,17H2,1-4H3
InChIKeyYGTMHPODRYXCBA-UHFFFAOYSA-N
XLogP2.75
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2-methylphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43437275
(6S)-2-amino-6-methyl-3-[(1R)-1-(3-methylphenyl)ethyl]-6-propan-2-yl-5H-pyrimidin-4-one
CID 145355342
2-[1-(3-bromophenyl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 60977143
3-[1-(azepan-1-yl)ethyl]aniline
CID 61262195
3-[1-(3-aminophenyl)ethyl]-1,3-oxazolidin-2-one
CID 43297594
1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 83084913
1-[1-(3-aminophenyl)ethyl]pyrrolidine-3,4-diol
CID 106667852
3-[1-(2-azaspiro[3.3]heptan-2-yl)ethyl]aniline
CID 79689666
1-(2-amino-4-hydroxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 107698094
1-(2-amino-4-fluorophenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43437281
4-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid
CID 43437413
1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43437343

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-aminophenyl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-[1-(3-aminophenyl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 43437320) is 1-[1-(3-aminophenyl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-(3-aminophenyl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-(3-aminophenyl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is CC(c1cccc(N)c1)N1C(=O)CC(C)(C(C)C)C1=O.
What is the InChIKey of 1-[1-(3-aminophenyl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is YGTMHPODRYXCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(2)16(4)9-14(19)18(15(16)20)11(3)12-6-5-7-13(17)8-12/h5-8,10-11H,9,17H2,1-4H3.
What are the key properties of 1-[1-(3-aminophenyl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
1-[1-(3-aminophenyl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-aminophenyl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 43437320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).