[2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone

C13H15F3N2O2 — CID 61338561

IUPAC[2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESNCC1CN(C(=O)c2cccc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-3-1-2-9(6-10)12(19)18-4-5-20-11(7-17)8-18/h1-3,6,11H,4-5,7-8,17H2
InChIKeyRROHUGUMLJZXPR-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.51
Rot. Bonds2

About [2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone

[2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 61338561) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is [2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID61338561
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name[2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESNCC1CN(C(=O)c2cccc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-3-1-2-9(6-10)12(19)18-4-5-20-11(7-17)8-18/h1-3,6,11H,4-5,7-8,17H2
InChIKeyRROHUGUMLJZXPR-UHFFFAOYSA-N
XLogP1.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(aminomethyl)-1,4-oxazepan-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 170896979
[2-(hydroxymethyl)morpholin-4-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
CID 71846639
(2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 25374537
[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42252437
3-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carbonyl]benzonitrile
CID 92759892
[2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone
CID 107702086
(4-fluorophenyl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 71955614
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119483027
1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 91790975
4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid
CID 119239464

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 61338561) is [2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone is NCC1CN(C(=O)c2cccc(C(F)(F)F)c2)CCO1.
What is the InChIKey of [2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is RROHUGUMLJZXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)10-3-1-2-9(6-10)12(19)18-4-5-20-11(7-17)8-18/h1-3,6,11H,4-5,7-8,17H2.
What are the key properties of [2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone?
[2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 288.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 61338561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).