2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone

C15H22N2O3 — CID 115952262

IUPAC2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
SMILESCNCc1cccc(C)c1OCC(=O)N1CCOCC1
InChIInChI=1S/C15H22N2O3/c1-12-4-3-5-13(10-16-2)15(12)20-11-14(18)17-6-8-19-9-7-17/h3-5,16H,6-11H2,1-2H3
InChIKeyYRNKEDPDTYWTCJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.95
Rot. Bonds5

About 2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone

2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone (PubChem CID 115952262) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
PubChem CID115952262
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
SMILESCNCc1cccc(C)c1OCC(=O)N1CCOCC1
InChIInChI=1S/C15H22N2O3/c1-12-4-3-5-13(10-16-2)15(12)20-11-14(18)17-6-8-19-9-7-17/h3-5,16H,6-11H2,1-2H3
InChIKeyYRNKEDPDTYWTCJ-UHFFFAOYSA-N
XLogP0.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone
CID 115952712
2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 115952550
3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 28932844
2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 112612580
N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine
CID 112608358
2-[2-(2-aminopropyl)-6-methylphenoxy]-1-pyrrolidin-1-ylethanone
CID 115958026
2-[2-(2-aminoethyl)-6-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 60905328
2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide
CID 112608234
2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39363116
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 63045841
1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone
CID 43277297

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone (CID 115952262) is 2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone is CNCc1cccc(C)c1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is YRNKEDPDTYWTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12-4-3-5-13(10-16-2)15(12)20-11-14(18)17-6-8-19-9-7-17/h3-5,16H,6-11H2,1-2H3.
What are the key properties of 2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone?
2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 278.35 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 115952262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).