4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one

C14H20N2O3 — CID 79467860

IUPAC4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one
SMILESCOc1ccc(C(C)N)cc1CN1CCOCC1=O
InChIInChI=1S/C14H20N2O3/c1-10(15)11-3-4-13(18-2)12(7-11)8-16-5-6-19-9-14(16)17/h3-4,7,10H,5-6,8-9,15H2,1-2H3
InChIKeyUEHCNOIVXRLJLP-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.07
Rot. Bonds4

About 4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one

4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one (PubChem CID 79467860) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one
PubChem CID79467860
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one
SMILESCOc1ccc(C(C)N)cc1CN1CCOCC1=O
InChIInChI=1S/C14H20N2O3/c1-10(15)11-3-4-13(18-2)12(7-11)8-16-5-6-19-9-14(16)17/h3-4,7,10H,5-6,8-9,15H2,1-2H3
InChIKeyUEHCNOIVXRLJLP-UHFFFAOYSA-N
XLogP1.07
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]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-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]azepan-2-one
CID 60860741
4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]morpholin-3-one
CID 79469483
1-[3-[(3-ethylmorpholin-4-yl)methyl]-4-methoxyphenyl]ethanamine
CID 60860565
4-[(5-amino-2-ethoxyphenyl)methyl]morpholin-3-one
CID 79469208
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine
CID 60860556
1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178939
1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine
CID 102965482
1-[[5-(1-aminoethyl)-2-ethoxyphenyl]methyl]-3-methylimidazolidin-2-one
CID 62490292
1-[4-methoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine
CID 64657070
(1S)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]ethanamine
CID 93342575
1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]ethanamine
CID 54927768
ethyl 2-hydroxy-2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]acetate
CID 117494133

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one?
The IUPAC name of 4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one (CID 79467860) is 4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one.
What is the SMILES notation for 4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one?
The canonical SMILES for 4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one is COc1ccc(C(C)N)cc1CN1CCOCC1=O.
What is the InChIKey of 4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one?
The InChIKey is UEHCNOIVXRLJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(15)11-3-4-13(18-2)12(7-11)8-16-5-6-19-9-14(16)17/h3-4,7,10H,5-6,8-9,15H2,1-2H3.
What are the key properties of 4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one?
4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one has a molecular weight of 264.32 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one is sourced from PubChem (CID 79467860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).