5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one

C12H13F3N2O2 — CID 115060503

IUPAC5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one
SMILESNCC1COCC(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)8-1-3-9(4-2-8)17-10(5-16)6-19-7-11(17)18/h1-4,10H,5-7,16H2
InChIKeyWGKDPOPBXOULCV-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.40
Rot. Bonds2

About 5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one

5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one (PubChem CID 115060503) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one.

Molecular Properties

Compound Name5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one
PubChem CID115060503
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one
SMILESNCC1COCC(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)8-1-3-9(4-2-8)17-10(5-16)6-19-7-11(17)18/h1-4,10H,5-7,16H2
InChIKeyWGKDPOPBXOULCV-UHFFFAOYSA-N
XLogP1.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one
CID 117009566
5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one
CID 115060512
5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 115102815
5-oxo-4-[3-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid
CID 115060460
6-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 115009784
5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 67953096
(2R)-4-ethyl-3-[4-(trifluoromethyl)phenyl]oxathiazolidine 2-oxide
CID 69419761
4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521061
N-[[4-[4-(trifluoromethyl)phenyl]morpholin-3-yl]methyl]propan-2-amine
CID 83105058
2-[5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]acetic acid
CID 115060573
1-cyclobutylpiperidine;5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(4-hydroxyphenyl)morpholin-3-one;ethane
CID 145497281
5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one
CID 115102568

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one?
The IUPAC name of 5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one (CID 115060503) is 5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one.
What is the SMILES notation for 5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one?
The canonical SMILES for 5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one is NCC1COCC(=O)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one?
The InChIKey is WGKDPOPBXOULCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)8-1-3-9(4-2-8)17-10(5-16)6-19-7-11(17)18/h1-4,10H,5-7,16H2.
What are the key properties of 5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one?
5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one has a molecular weight of 274.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one is sourced from PubChem (CID 115060503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).