1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one

C16H24N2O2 — CID 104510945

IUPAC1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)C1CC(=O)N(CCOc2ccccc2N)C1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)12-10-15(19)18(11-12)8-9-20-14-7-5-4-6-13(14)17/h4-7,12H,8-11,17H2,1-3H3
InChIKeyFJRMHJRJIKPVAT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.54
Rot. Bonds4

About 1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one

1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one (PubChem CID 104510945) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one
PubChem CID104510945
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)C1CC(=O)N(CCOc2ccccc2N)C1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)12-10-15(19)18(11-12)8-9-20-14-7-5-4-6-13(14)17/h4-7,12H,8-11,17H2,1-3H3
InChIKeyFJRMHJRJIKPVAT-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 168699576
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one
CID 63103704
2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline
CID 103531079
3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione
CID 43365808
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511003
2-[2-(3-phenylazetidin-1-yl)ethoxy]aniline
CID 79688063
1-[(3-aminophenyl)methyl]-4-tert-butylpyrrolidin-2-one
CID 104510947
4-tert-butyl-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrrolidin-2-one
CID 104512227
1-[2-(2-acetylphenoxy)ethyl]-4-methylpyrrolidin-2-one
CID 63102457
3-[2-(2-aminophenoxy)ethyl]imidazolidine-2,4-dione
CID 43365663
1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-4-tert-butylpyrrolidin-2-one
CID 104510941
4-(aminomethyl)-1-[3-(2-methoxyphenoxy)propyl]pyrrolidin-2-one
CID 168659615

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one?
The IUPAC name of 1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one (CID 104510945) is 1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one is CC(C)(C)C1CC(=O)N(CCOc2ccccc2N)C1.
What is the InChIKey of 1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one?
The InChIKey is FJRMHJRJIKPVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)12-10-15(19)18(11-12)8-9-20-14-7-5-4-6-13(14)17/h4-7,12H,8-11,17H2,1-3H3.
What are the key properties of 1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one?
1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one is sourced from PubChem (CID 104510945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).