2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylphenyl)ethanone

C15H22N2O3 — CID 106312554

IUPAC2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(N)C(=O)N2CC(CO)OCC2C)cc1
InChIInChI=1S/C15H22N2O3/c1-10-3-5-12(6-4-10)14(16)15(19)17-7-13(8-18)20-9-11(17)2/h3-6,11,13-14,18H,7-9,16H2,1-2H3
InChIKeyGGULFEHSOXRJHI-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.60
Rot. Bonds3

About 2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylphenyl)ethanone

2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylphenyl)ethanone (PubChem CID 106312554) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylphenyl)ethanone
PubChem CID106312554
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(N)C(=O)N2CC(CO)OCC2C)cc1
InChIInChI=1S/C15H22N2O3/c1-10-3-5-12(6-4-10)14(16)15(19)17-7-13(8-18)20-9-11(17)2/h3-6,11,13-14,18H,7-9,16H2,1-2H3
InChIKeyGGULFEHSOXRJHI-UHFFFAOYSA-N
XLogP0.60
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 81203659
[4-[2-amino-1-(4-methylphenyl)ethyl]-5-methylmorpholin-2-yl]methanol
CID 81203879
[4-[2-amino-1-(4-methylphenyl)butyl]-5-methylmorpholin-2-yl]methanol
CID 81193902
(2S)-2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]hexan-1-one
CID 107146080
2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one
CID 81203652
4-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-phenylbutan-1-one
CID 81194547
(2S)-2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-methylsulfanylbutan-1-one
CID 81203478
4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxamide
CID 106312666
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 114898820
2-amino-1-[2-(hydroxymethyl)azepan-1-yl]-2-(4-methylphenyl)ethanone
CID 106312752
ethyl 2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3,3-dimethylbutanoate
CID 116538210
2-amino-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-methylphenyl)ethanone
CID 106151725

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylphenyl)ethanone (CID 106312554) is 2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(C(N)C(=O)N2CC(CO)OCC2C)cc1.
What is the InChIKey of 2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is GGULFEHSOXRJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-3-5-12(6-4-10)14(16)15(19)17-7-13(8-18)20-9-11(17)2/h3-6,11,13-14,18H,7-9,16H2,1-2H3.
What are the key properties of 2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylphenyl)ethanone?
2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 278.35 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 106312554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).