2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone

C14H20N2O3 — CID 102931485

IUPAC2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
SMILESCC1CN(C(=O)Cc2ccccc2N)CC(CO)O1
InChIInChI=1S/C14H20N2O3/c1-10-7-16(8-12(9-17)19-10)14(18)6-11-4-2-3-5-13(11)15/h2-5,10,12,17H,6-9,15H2,1H3
InChIKeyJNGLNQWDTPDXMJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.42
Rot. Bonds3

About 2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone

2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone (PubChem CID 102931485) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
PubChem CID102931485
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
SMILESCC1CN(C(=O)Cc2ccccc2N)CC(CO)O1
InChIInChI=1S/C14H20N2O3/c1-10-7-16(8-12(9-17)19-10)14(18)6-11-4-2-3-5-13(11)15/h2-5,10,12,17H,6-9,15H2,1H3
InChIKeyJNGLNQWDTPDXMJ-UHFFFAOYSA-N
XLogP0.42
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934709
2-(2-aminophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 79189038
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-nitrophenyl)ethanone
CID 102934348
2-[4-(aminomethyl)phenyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102931537
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-hydroxyphenyl)ethanone
CID 102934069
2-[2-(aminomethyl)phenoxy]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102931538
2-(2,5-dimethylphenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934393
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 102934064
2-(2-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 16772853
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
CID 102934123
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934648

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone (CID 102931485) is 2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone is CC1CN(C(=O)Cc2ccccc2N)CC(CO)O1.
What is the InChIKey of 2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
The InChIKey is JNGLNQWDTPDXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-7-16(8-12(9-17)19-10)14(18)6-11-4-2-3-5-13(11)15/h2-5,10,12,17H,6-9,15H2,1H3.
What are the key properties of 2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone has a molecular weight of 264.32 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 102931485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).