2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine

C13H18F3N3O — CID 125438590

IUPAC2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine
SMILESNCC[C@@H]1CN(Cc2ccc(C(F)(F)F)nc2)CCO1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)12-2-1-10(7-18-12)8-19-5-6-20-11(9-19)3-4-17/h1-2,7,11H,3-6,8-9,17H2/t11-/m1/s1
InChIKeyZRWMUVGQOKYMNO-LLVKDONJSA-N
MW289.30 g/mol
LogP1.65
Rot. Bonds4

About 2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine

2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine (PubChem CID 125438590) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine
PubChem CID125438590
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine
SMILESNCC[C@@H]1CN(Cc2ccc(C(F)(F)F)nc2)CCO1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)12-2-1-10(7-18-12)8-19-5-6-20-11(9-19)3-4-17/h1-2,7,11H,3-6,8-9,17H2/t11-/m1/s1
InChIKeyZRWMUVGQOKYMNO-LLVKDONJSA-N
XLogP1.65
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine
CID 125439521
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
4-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzonitrile
CID 14881847
1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 175659850
2-[4-[(4-phenoxyphenyl)methyl]morpholin-2-yl]ethanamine
CID 74241226
5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine
CID 141220850
3-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzoic acid;dihydrochloride
CID 154906261
2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 74237243
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
N,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171996048
[4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine
CID 120844436

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine?
The IUPAC name of 2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine (CID 125438590) is 2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine?
The canonical SMILES for 2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine is NCC[C@@H]1CN(Cc2ccc(C(F)(F)F)nc2)CCO1.
What is the InChIKey of 2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine?
The InChIKey is ZRWMUVGQOKYMNO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18F3N3O/c14-13(15,16)12-2-1-10(7-18-12)8-19-5-6-20-11(9-19)3-4-17/h1-2,7,11H,3-6,8-9,17H2/t11-/m1/s1.
What are the key properties of 2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine?
2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine has a molecular weight of 289.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 125438590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).