2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone

C12H16N2O3 — CID 69370465

IUPAC2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone
SMILESNc1ccc(CC(=O)N2CCOCC2)cc1O
InChIInChI=1S/C12H16N2O3/c13-10-2-1-9(7-11(10)15)8-12(16)14-3-5-17-6-4-14/h1-2,7,15H,3-6,8,13H2
InChIKeyKKGJADPCFAYWBM-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.38
Rot. Bonds2

About 2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone

2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone (PubChem CID 69370465) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone
PubChem CID69370465
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone
SMILESNc1ccc(CC(=O)N2CCOCC2)cc1O
InChIInChI=1S/C12H16N2O3/c13-10-2-1-9(7-11(10)15)8-12(16)14-3-5-17-6-4-14/h1-2,7,15H,3-6,8,13H2
InChIKeyKKGJADPCFAYWBM-UHFFFAOYSA-N
XLogP0.38
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 69309353
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
1-(azetidin-1-yl)-2-(3,4-diaminophenyl)ethanone
CID 54082676
4-(3-amino-4-hydroxyphenyl)-1-morpholin-4-ylbutan-1-one
CID 67900368
1-morpholin-4-yl-2-(4-nitrophenyl)ethanone
CID 5170165
2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 60700942
1-morpholin-4-yl-2-(4-phenoxyphenyl)ethanone
CID 110768044
2-(3-ethenyl-4-fluorophenyl)-1-morpholin-4-ylethanone
CID 176516089
2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 110365721
2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 142614199
5-(2-morpholin-4-yl-2-oxoethyl)-3H-1,3-benzoxazol-2-one
CID 110773942
1-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]cyclohexane-1-carboxamide
CID 119283363

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone (CID 69370465) is 2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone is Nc1ccc(CC(=O)N2CCOCC2)cc1O.
What is the InChIKey of 2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone?
The InChIKey is KKGJADPCFAYWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-10-2-1-9(7-11(10)15)8-12(16)14-3-5-17-6-4-14/h1-2,7,15H,3-6,8,13H2.
What are the key properties of 2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone?
2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone has a molecular weight of 236.27 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-hydroxyphenyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 69370465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).