2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone

C16H24N2O3 — CID 115952712

IUPAC2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone
SMILESCCNCc1cccc(C)c1OCC(=O)N1CCOCC1
InChIInChI=1S/C16H24N2O3/c1-3-17-11-14-6-4-5-13(2)16(14)21-12-15(19)18-7-9-20-10-8-18/h4-6,17H,3,7-12H2,1-2H3
InChIKeyOXJXVWQZTGPMGX-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.34
Rot. Bonds6

About 2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone

2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone (PubChem CID 115952712) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone
PubChem CID115952712
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone
SMILESCCNCc1cccc(C)c1OCC(=O)N1CCOCC1
InChIInChI=1S/C16H24N2O3/c1-3-17-11-14-6-4-5-13(2)16(14)21-12-15(19)18-7-9-20-10-8-18/h4-6,17H,3,7-12H2,1-2H3
InChIKeyOXJXVWQZTGPMGX-UHFFFAOYSA-N
XLogP1.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 115952262
2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 115952550
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-1-piperidin-1-ylethanone
CID 115953353
1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone
CID 43277297
2-[4-(ethylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 43276966
3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 28932844
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 112612580
2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39363116
methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate
CID 115952595
2-[2-chloro-6-(propylaminomethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 115953102
2-[2-(2-aminopropyl)-6-methylphenoxy]-1-pyrrolidin-1-ylethanone
CID 115958026

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone (CID 115952712) is 2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone is CCNCc1cccc(C)c1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone?
The InChIKey is OXJXVWQZTGPMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-17-11-14-6-4-5-13(2)16(14)21-12-15(19)18-7-9-20-10-8-18/h4-6,17H,3,7-12H2,1-2H3.
What are the key properties of 2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone?
2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone has a molecular weight of 292.38 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 115952712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).