4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one

C13H18N2O3 — CID 79468945

IUPAC4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one
SMILESNCc1ccccc1OCCN1CCOCC1=O
InChIInChI=1S/C13H18N2O3/c14-9-11-3-1-2-4-12(11)18-8-6-15-5-7-17-10-13(15)16/h1-4H,5-10,14H2
InChIKeyHKWOVGXXIFOXNE-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.38
Rot. Bonds5

About 4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one

4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one (PubChem CID 79468945) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one
PubChem CID79468945
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one
SMILESNCc1ccccc1OCCN1CCOCC1=O
InChIInChI=1S/C13H18N2O3/c14-9-11-3-1-2-4-12(11)18-8-6-15-5-7-17-10-13(15)16/h1-4H,5-10,14H2
InChIKeyHKWOVGXXIFOXNE-UHFFFAOYSA-N
XLogP0.38
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-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

1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one
CID 43253927
4-[2-[3-(aminomethyl)phenoxy]ethyl]morpholin-3-one
CID 79469073
4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one
CID 107113912
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one
CID 63103704
4-[2-[2-(aminomethyl)phenoxy]ethyl]-N-methylmorpholine-3-carboxamide
CID 83098387
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511003
1-[2-[2-(3-aminopropyl)phenoxy]ethyl]pyrrolidin-2-one
CID 170879211
4-[2-[2-(aminomethyl)phenoxy]ethyl]piperazine-2,6-dione
CID 66085454
3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide
CID 79468409
3-[2-(3-oxomorpholin-4-yl)ethoxy]benzonitrile
CID 79468674
1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione
CID 61237359
3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione
CID 43253918

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one?
The IUPAC name of 4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one (CID 79468945) is 4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one.
What is the SMILES notation for 4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one?
The canonical SMILES for 4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one is NCc1ccccc1OCCN1CCOCC1=O.
What is the InChIKey of 4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one?
The InChIKey is HKWOVGXXIFOXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-9-11-3-1-2-4-12(11)18-8-6-15-5-7-17-10-13(15)16/h1-4H,5-10,14H2.
What are the key properties of 4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one?
4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one has a molecular weight of 250.30 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one is sourced from PubChem (CID 79468945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).