2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone

C13H18N2O2 — CID 106773667

IUPAC2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone
SMILESC[C@@H]1COCCN1C(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H18N2O2/c1-10-9-17-6-5-15(10)13(16)8-11-3-2-4-12(14)7-11/h2-4,7,10H,5-6,8-9,14H2,1H3/t10-/m1/s1
InChIKeyIQQOABPVDGKCFO-SNVBAGLBSA-N
MW234.30 g/mol
LogP1.06
Rot. Bonds2

About 2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone

2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone (PubChem CID 106773667) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone
PubChem CID106773667
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone
SMILESC[C@@H]1COCCN1C(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H18N2O2/c1-10-9-17-6-5-15(10)13(16)8-11-3-2-4-12(14)7-11/h2-4,7,10H,5-6,8-9,14H2,1H3/t10-/m1/s1
InChIKeyIQQOABPVDGKCFO-SNVBAGLBSA-N
XLogP1.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-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

3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 93112029
2-(3-aminophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 114085754
2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43831264
N'-hydroxy-4-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]benzenecarboximidamide
CID 77000982
2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid
CID 106773928
2-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)ethanone
CID 62498335
2-(3-aminophenyl)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 28689676
4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one
CID 110631138
3-methyl-6-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]-1H-quinolin-2-one
CID 110309856
2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 62498346
2-(3-aminophenyl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 62499161
2-(3-aminophenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62498208

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone (CID 106773667) is 2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone is C[C@@H]1COCCN1C(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone?
The InChIKey is IQQOABPVDGKCFO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-9-17-6-5-15(10)13(16)8-11-3-2-4-12(14)7-11/h2-4,7,10H,5-6,8-9,14H2,1H3/t10-/m1/s1.
What are the key properties of 2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone?
2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone has a molecular weight of 234.30 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 106773667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).