4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholine-3,5-dione

C13H16N2O4 — CID 61312500

IUPAC4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholine-3,5-dione
SMILESNCc1ccc(OCCN2C(=O)COCC2=O)cc1
InChIInChI=1S/C13H16N2O4/c14-7-10-1-3-11(4-2-10)19-6-5-15-12(16)8-18-9-13(15)17/h1-4H,5-9,14H2
InChIKeyJAAGIHWJRDQPLK-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.09
Rot. Bonds5

About 4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholine-3,5-dione

4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholine-3,5-dione (PubChem CID 61312500) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholine-3,5-dione
PubChem CID61312500
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholine-3,5-dione
SMILESNCc1ccc(OCCN2C(=O)COCC2=O)cc1
InChIInChI=1S/C13H16N2O4/c14-7-10-1-3-11(4-2-10)19-6-5-15-12(16)8-18-9-13(15)17/h1-4H,5-9,14H2
InChIKeyJAAGIHWJRDQPLK-UHFFFAOYSA-N
XLogP-0.09
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-(aminomethyl)phenoxy]ethyl]azepane-2,7-dione
CID 43447525
4-[2-(4-bromophenoxy)ethyl]morpholine-3,5-dione
CID 54970412
3-[2-(3,5-dioxomorpholin-4-yl)ethoxy]benzenecarbothioamide
CID 61313300
2-[4-[2-(2,6-dioxopiperidin-1-yl)ethoxy]phenyl]ethanethioamide
CID 43447714
4-[2-[3-(aminomethyl)phenoxy]ethyl]morpholin-3-one
CID 79469073
1-[2-(4-bromophenoxy)ethyl]piperazine-2,6-dione
CID 66062841
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
4-[4-[2-[3-(aminomethyl)azetidin-1-yl]ethoxy]phenyl]morpholin-3-one
CID 129300076
[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine
CID 43585070
1-(2-phenoxyethyl)piperazine-2,6-dione
CID 66062056
2-[4-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethoxy]phenyl]acetonitrile
CID 79497204
1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62943937

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholine-3,5-dione?
The IUPAC name of 4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholine-3,5-dione (CID 61312500) is 4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholine-3,5-dione?
The canonical SMILES for 4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholine-3,5-dione is NCc1ccc(OCCN2C(=O)COCC2=O)cc1.
What is the InChIKey of 4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholine-3,5-dione?
The InChIKey is JAAGIHWJRDQPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c14-7-10-1-3-11(4-2-10)19-6-5-15-12(16)8-18-9-13(15)17/h1-4H,5-9,14H2.
What are the key properties of 4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholine-3,5-dione?
4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholine-3,5-dione has a molecular weight of 264.28 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(aminomethyl)phenoxy]ethyl]morpholine-3,5-dione is sourced from PubChem (CID 61312500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).