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

C15H22N2O4 — CID 102931538

IUPAC2-[2-(aminomethyl)phenoxy]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
SMILESCC1CN(C(=O)COc2ccccc2CN)CC(CO)O1
InChIInChI=1S/C15H22N2O4/c1-11-7-17(8-13(9-18)21-11)15(19)10-20-14-5-3-2-4-12(14)6-16/h2-5,11,13,18H,6-10,16H2,1H3
InChIKeyGVNVUWFSGHAMLH-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.13
Rot. Bonds5

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

2-[2-(aminomethyl)phenoxy]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone (PubChem CID 102931538) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
PubChem CID102931538
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[2-(aminomethyl)phenoxy]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
SMILESCC1CN(C(=O)COc2ccccc2CN)CC(CO)O1
InChIInChI=1S/C15H22N2O4/c1-11-7-17(8-13(9-18)21-11)15(19)10-20-14-5-3-2-4-12(14)6-16/h2-5,11,13,18H,6-10,16H2,1H3
InChIKeyGVNVUWFSGHAMLH-UHFFFAOYSA-N
XLogP0.13
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
CID 102934123
2-[2-(aminomethyl)phenoxy]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66393220
2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102931485
2-(2-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 16772853
2-[4-(aminomethyl)phenyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102931537
2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]benzamide
CID 7283920
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
CID 102934536
2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934709
2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 973581
N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]phenyl]acetamide
CID 7867396
2-[2-(aminomethyl)phenoxy]-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62204457
2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530183

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone (CID 102931538) is 2-[2-(aminomethyl)phenoxy]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone is CC1CN(C(=O)COc2ccccc2CN)CC(CO)O1.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
The InChIKey is GVNVUWFSGHAMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11-7-17(8-13(9-18)21-11)15(19)10-20-14-5-3-2-4-12(14)6-16/h2-5,11,13,18H,6-10,16H2,1H3.
What are the key properties of 2-[2-(aminomethyl)phenoxy]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
2-[2-(aminomethyl)phenoxy]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone has a molecular weight of 294.35 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 102931538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).