1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione

C14H18N2O3 — CID 61237359

IUPAC1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCOc2ccccc2CN)C1=O
InChIInChI=1S/C14H18N2O3/c1-10-8-13(17)16(14(10)18)6-7-19-12-5-3-2-4-11(12)9-15/h2-5,10H,6-9,15H2,1H3
InChIKeyFIKOGYNAVPNGSM-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.92
Rot. Bonds5

About 1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione

1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 61237359) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione
PubChem CID61237359
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCOc2ccccc2CN)C1=O
InChIInChI=1S/C14H18N2O3/c1-10-8-13(17)16(14(10)18)6-7-19-12-5-3-2-4-11(12)9-15/h2-5,10H,6-9,15H2,1H3
InChIKeyFIKOGYNAVPNGSM-UHFFFAOYSA-N
XLogP0.92
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]benzonitrile
CID 61238278
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one
CID 63103704
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511003
3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione
CID 43253918
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione
CID 98280034
1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione
CID 103482320
2-[4-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]ethanethioamide
CID 61238288
1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one
CID 43253927
1-[2-(aminomethyl)phenyl]-3-methylpyrrolidine-2,5-dione
CID 61038416
4-[2-[2-(aminomethyl)phenoxy]ethyl]piperazine-2,6-dione
CID 66085454
1-[(2-hydroxyphenyl)methyl]-3-methylpyrrolidine-2,5-dione
CID 114332824
[2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine
CID 84686072

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione (CID 61237359) is 1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(CCOc2ccccc2CN)C1=O.
What is the InChIKey of 1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is FIKOGYNAVPNGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-8-13(17)16(14(10)18)6-7-19-12-5-3-2-4-11(12)9-15/h2-5,10H,6-9,15H2,1H3.
What are the key properties of 1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione?
1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 61237359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).