[2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone

C13H16F2N2O3 — CID 61337007

IUPAC[2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone
SMILESNCC1CN(C(=O)c2ccccc2OC(F)F)CCO1
InChIInChI=1S/C13H16F2N2O3/c14-13(15)20-11-4-2-1-3-10(11)12(18)17-5-6-19-9(7-16)8-17/h1-4,9,13H,5-8,16H2
InChIKeyGTQQWOPYJSCDJF-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.09
Rot. Bonds4

About [2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone

[2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone (PubChem CID 61337007) has the molecular formula C13H16F2N2O3 and a molecular weight of 286.28 g/mol. Its IUPAC name is [2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone
PubChem CID61337007
Molecular FormulaC13H16F2N2O3
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Name[2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone
SMILESNCC1CN(C(=O)c2ccccc2OC(F)F)CCO1
InChIInChI=1S/C13H16F2N2O3/c14-13(15)20-11-4-2-1-3-10(11)12(18)17-5-6-19-9(7-16)8-17/h1-4,9,13H,5-8,16H2
InChIKeyGTQQWOPYJSCDJF-UHFFFAOYSA-N
XLogP1.09
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone
CID 42252423
[2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone
CID 61339139
[2-(difluoromethoxy)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029867
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470739
4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one
CID 119278804
[2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone
CID 107983238
[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42252437
(2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide
CID 95276927
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
[2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride
CID 119466370
[2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577090
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(difluoromethoxy)phenyl]methanone
CID 81486182

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone?
The IUPAC name of [2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone (CID 61337007) is [2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone.
What is the SMILES notation for [2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone?
The canonical SMILES for [2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone is NCC1CN(C(=O)c2ccccc2OC(F)F)CCO1.
What is the InChIKey of [2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone?
The InChIKey is GTQQWOPYJSCDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3/c14-13(15)20-11-4-2-1-3-10(11)12(18)17-5-6-19-9(7-16)8-17/h1-4,9,13H,5-8,16H2.
What are the key properties of [2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone?
[2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone has a molecular weight of 286.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone is sourced from PubChem (CID 61337007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).