2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone

C14H20N2O2 — CID 43562198

IUPAC2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone
SMILESCCC1CN(C(=O)Cc2ccc(N)cc2)CCO1
InChIInChI=1S/C14H20N2O2/c1-2-13-10-16(7-8-18-13)14(17)9-11-3-5-12(15)6-4-11/h3-6,13H,2,7-10,15H2,1H3
InChIKeyWDBYOYBQUGGIEJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.45
Rot. Bonds3

About 2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone

2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone (PubChem CID 43562198) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone
PubChem CID43562198
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone
SMILESCCC1CN(C(=O)Cc2ccc(N)cc2)CCO1
InChIInChI=1S/C14H20N2O2/c1-2-13-10-16(7-8-18-13)14(17)9-11-3-5-12(15)6-4-11/h3-6,13H,2,7-10,15H2,1H3
InChIKeyWDBYOYBQUGGIEJ-UHFFFAOYSA-N
XLogP1.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone 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

2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 119248876
2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)-2-methylpropan-1-one
CID 80556940
1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 81210723
1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 91790975
2-(1,3-benzodioxol-5-yl)-1-[2-(methylsulfonylmethyl)morpholin-4-yl]ethanone
CID 136566973
2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81208288
4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoic acid
CID 119182801
2-(5-bromothiophen-2-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone
CID 96547494
2-[4-[(R)-methylsulfinyl]phenyl]-1-[(2R)-2-propylmorpholin-4-yl]ethanone
CID 100654379
1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone
CID 56755872
(5-amino-2-chlorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562207
methyl 2-[4-[2-(4-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79813124

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone (CID 43562198) is 2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone is CCC1CN(C(=O)Cc2ccc(N)cc2)CCO1.
What is the InChIKey of 2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone?
The InChIKey is WDBYOYBQUGGIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-13-10-16(7-8-18-13)14(17)9-11-3-5-12(15)6-4-11/h3-6,13H,2,7-10,15H2,1H3.
What are the key properties of 2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone?
2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 43562198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).