3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one

C17H20N2O2S — CID 120611548

IUPAC3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one
SMILESNc1ccccc1CCC(=O)N1CCOC(c2ccsc2)C1
InChIInChI=1S/C17H20N2O2S/c18-15-4-2-1-3-13(15)5-6-17(20)19-8-9-21-16(11-19)14-7-10-22-12-14/h1-4,7,10,12,16H,5-6,8-9,11,18H2
InChIKeyVFFYQYDUGFMTAN-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.86
Rot. Bonds4

About 3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one

3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one (PubChem CID 120611548) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one
PubChem CID120611548
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one
SMILESNc1ccccc1CCC(=O)N1CCOC(c2ccsc2)C1
InChIInChI=1S/C17H20N2O2S/c18-15-4-2-1-3-13(15)5-6-17(20)19-8-9-21-16(11-19)14-7-10-22-12-14/h1-4,7,10,12,16H,5-6,8-9,11,18H2
InChIKeyVFFYQYDUGFMTAN-UHFFFAOYSA-N
XLogP2.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-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

3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 120607548
3-(2-aminophenyl)-1-[2-(3-bromophenyl)morpholin-4-yl]propan-1-one
CID 120609994
4-amino-1-(2-thiophen-3-ylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 120563675
4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid
CID 107273042
3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one
CID 120610994
3-(2-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]propan-1-one
CID 55947512
3-(2-aminophenyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62969229
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609345
[1-(2-methylphenyl)cyclopropyl]-(2-thiophen-3-ylmorpholin-4-yl)methanone
CID 126775057
1-(2-pyridin-4-ylmorpholin-4-yl)-2-thiophen-3-ylethanone
CID 110102530
1-[(2R)-2-pyridin-4-ylmorpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124986253

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one (CID 120611548) is 3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one is Nc1ccccc1CCC(=O)N1CCOC(c2ccsc2)C1.
What is the InChIKey of 3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one?
The InChIKey is VFFYQYDUGFMTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c18-15-4-2-1-3-13(15)5-6-17(20)19-8-9-21-16(11-19)14-7-10-22-12-14/h1-4,7,10,12,16H,5-6,8-9,11,18H2.
What are the key properties of 3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one?
3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one has a molecular weight of 316.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1-(2-thiophen-3-ylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 120611548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).