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

C14H19FN2O3 — CID 115952550

IUPAC2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
SMILESCNCc1cccc(F)c1OCC(=O)N1CCOCC1
InChIInChI=1S/C14H19FN2O3/c1-16-9-11-3-2-4-12(15)14(11)20-10-13(18)17-5-7-19-8-6-17/h2-4,16H,5-10H2,1H3
InChIKeyDLUPTZYJNZWFNI-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.78
Rot. Bonds5

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

2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone (PubChem CID 115952550) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
PubChem CID115952550
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
SMILESCNCc1cccc(F)c1OCC(=O)N1CCOCC1
InChIInChI=1S/C14H19FN2O3/c1-16-9-11-3-2-4-12(15)14(11)20-10-13(18)17-5-7-19-8-6-17/h2-4,16H,5-10H2,1H3
InChIKeyDLUPTZYJNZWFNI-UHFFFAOYSA-N
XLogP0.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.78
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-(ethylaminomethyl)-6-fluorophenoxy]-1-piperidin-1-ylethanone
CID 115953353
3-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
CID 112611706
2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone
CID 115952712
2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 112612580
2-[2-(2-aminoethyl)-6-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 60905328
N-ethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 112608901
2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone
CID 43609224
2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone
CID 81268372
N-(2-cyanoethyl)-2-[2-fluoro-6-(methylaminomethyl)phenoxy]acetamide
CID 112608784
methyl 4-[2-fluoro-6-(methylaminomethyl)phenoxy]butanoate
CID 112608740
3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115618229

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone (CID 115952550) is 2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone is CNCc1cccc(F)c1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is DLUPTZYJNZWFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-16-9-11-3-2-4-12(15)14(11)20-10-13(18)17-5-7-19-8-6-17/h2-4,16H,5-10H2,1H3.
What are the key properties of 2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone?
2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 282.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 115952550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).