2-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)ethanone

C13H18N2O2 — CID 62498335

IUPAC2-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)Cc2cccc(N)c2)CCO1
InChIInChI=1S/C13H18N2O2/c1-10-9-15(5-6-17-10)13(16)8-11-3-2-4-12(14)7-11/h2-4,7,10H,5-6,8-9,14H2,1H3
InChIKeyAPMWIBUNILBRJT-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.06
Rot. Bonds2

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

2-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 62498335) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID62498335
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)Cc2cccc(N)c2)CCO1
InChIInChI=1S/C13H18N2O2/c1-10-9-15(5-6-17-10)13(16)8-11-3-2-4-12(14)7-11/h2-4,7,10H,5-6,8-9,14H2,1H3
InChIKeyAPMWIBUNILBRJT-UHFFFAOYSA-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-(2-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

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)ethanone (CID 62498335) is 2-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)ethanone is CC1CN(C(=O)Cc2cccc(N)c2)CCO1.
What is the InChIKey of 2-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is APMWIBUNILBRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-9-15(5-6-17-10)13(16)8-11-3-2-4-12(14)7-11/h2-4,7,10H,5-6,8-9,14H2,1H3.
What are the key properties of 2-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)ethanone?
2-(3-aminophenyl)-1-(2-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-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 62498335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).