2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone

C13H17FN2O3 — CID 43609224

IUPAC2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone
SMILESNCc1c(F)cccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C13H17FN2O3/c14-11-2-1-3-12(10(11)8-15)19-9-13(17)16-4-6-18-7-5-16/h1-3H,4-9,15H2
InChIKeyJZPPSDGRWUXSPS-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.52
Rot. Bonds4

About 2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone

2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone (PubChem CID 43609224) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone
PubChem CID43609224
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone
SMILESNCc1c(F)cccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C13H17FN2O3/c14-11-2-1-3-12(10(11)8-15)19-9-13(17)16-4-6-18-7-5-16/h1-3H,4-9,15H2
InChIKeyJZPPSDGRWUXSPS-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-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone
CID 107665226
2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 79778699
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone
CID 55154462
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 78975266
2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
3-(2-morpholin-4-yl-2-oxoethoxy)pyridine-2-carboxylic acid
CID 61380057
3-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
CID 112611706
2-[2-(azetidin-1-yl)-2-oxoethoxy]-6-fluorobenzoic acid
CID 107014105
2-(2-chloro-4-fluorophenoxy)-1-morpholin-4-ylethanone
CID 17190853

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone (CID 43609224) is 2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone is NCc1c(F)cccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone?
The InChIKey is JZPPSDGRWUXSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c14-11-2-1-3-12(10(11)8-15)19-9-13(17)16-4-6-18-7-5-16/h1-3H,4-9,15H2.
What are the key properties of 2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone?
2-[2-(aminomethyl)-3-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-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 43609224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).