2-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone

C13H17FN2O3 — CID 107665226

IUPAC2-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone
SMILESNCc1ccc(OCC(=O)N2CCOCC2)c(F)c1
InChIInChI=1S/C13H17FN2O3/c14-11-7-10(8-15)1-2-12(11)19-9-13(17)16-3-5-18-6-4-16/h1-2,7H,3-6,8-9,15H2
InChIKeyPTILEVGGZKWNAT-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.52
Rot. Bonds4

About 2-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone

2-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone (PubChem CID 107665226) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone
PubChem CID107665226
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone
SMILESNCc1ccc(OCC(=O)N2CCOCC2)c(F)c1
InChIInChI=1S/C13H17FN2O3/c14-11-7-10(8-15)1-2-12(11)19-9-13(17)16-3-5-18-6-4-16/h1-2,7H,3-6,8-9,15H2
InChIKeyPTILEVGGZKWNAT-UHFFFAOYSA-N
XLogP0.52
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
2-[5-(aminomethyl)-2-methylphenoxy]-1-morpholin-4-ylethanone
CID 107655594
2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone
CID 43609224
1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55596207
2-(2-chloro-4-fluorophenoxy)-1-morpholin-4-ylethanone
CID 17190853
5-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 82915954
2-[4-(aminomethyl)-2-chlorophenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 61389168
2-(2-amino-4-bromophenoxy)-1-morpholin-4-ylethanone
CID 65429602
2-[4-(aminomethyl)-2-bromophenoxy]-1-piperidin-1-ylethanone
CID 55147902
2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone
CID 43259286
5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 106956085
2-[4-(hydroxymethyl)-2-nitrophenoxy]-1-morpholin-4-ylethanone
CID 43319820

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone (CID 107665226) is 2-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone is NCc1ccc(OCC(=O)N2CCOCC2)c(F)c1.
What is the InChIKey of 2-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone?
The InChIKey is PTILEVGGZKWNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c14-11-7-10(8-15)1-2-12(11)19-9-13(17)16-3-5-18-6-4-16/h1-2,7H,3-6,8-9,15H2.
What are the key properties of 2-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone?
2-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone has a molecular weight of 268.29 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 107665226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).