6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one

C12H13F3N2O2 — CID 115060288

IUPAC6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one
SMILESNCC1CN(c2ccccc2C(F)(F)F)C(=O)CO1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-3-1-2-4-10(9)17-6-8(5-16)19-7-11(17)18/h1-4,8H,5-7,16H2
InChIKeyARRSBGBAUNAURW-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.40
Rot. Bonds2

About 6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one

6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one (PubChem CID 115060288) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one.

Molecular Properties

Compound Name6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one
PubChem CID115060288
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one
SMILESNCC1CN(c2ccccc2C(F)(F)F)C(=O)CO1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-3-1-2-4-10(9)17-6-8(5-16)19-7-11(17)18/h1-4,8H,5-7,16H2
InChIKeyARRSBGBAUNAURW-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

2-[2-(aminomethyl)-5-oxomorpholin-4-yl]benzonitrile
CID 117008949
6-(aminomethyl)-4-naphthalen-2-ylmorpholin-3-one
CID 116838193
4-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168509216
6-(hydroxymethyl)-4-(2-hydroxyphenyl)morpholin-3-one
CID 115067566
6-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)morpholin-3-one
CID 116838153
6-(2-hydroxyethyl)-4-(2-hydroxyphenyl)morpholin-3-one
CID 115067675
6-(aminomethyl)-4-(2-methoxy-4,5-dimethylphenyl)morpholin-3-one
CID 116838151
6-(aminomethyl)-3-[2-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115009992
6-(aminomethyl)-4-(2-methyl-1H-indol-3-yl)morpholin-3-one
CID 116838162
4-(azidomethyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168658142
6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride
CID 146050632
6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one
CID 116838147

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one?
The IUPAC name of 6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one (CID 115060288) is 6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one.
What is the SMILES notation for 6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one?
The canonical SMILES for 6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one is NCC1CN(c2ccccc2C(F)(F)F)C(=O)CO1.
What is the InChIKey of 6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one?
The InChIKey is ARRSBGBAUNAURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)9-3-1-2-4-10(9)17-6-8(5-16)19-7-11(17)18/h1-4,8H,5-7,16H2.
What are the key properties of 6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one?
6-(aminomethyl)-4-[2-(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 6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one is sourced from PubChem (CID 115060288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).