(2R)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine

C12H18F3N3O2 — CID 95553390

IUPAC(2R)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine
SMILESCOCCn1cncc1CN1CCO[C@@H](C(F)(F)F)C1
InChIInChI=1S/C12H18F3N3O2/c1-19-4-3-18-9-16-6-10(18)7-17-2-5-20-11(8-17)12(13,14)15/h6,9,11H,2-5,7-8H2,1H3/t11-/m1/s1
InChIKeyZXNHAKLWBNYJCT-LLVKDONJSA-N
MW293.29 g/mol
LogP1.29
Rot. Bonds5

About (2R)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine

(2R)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine (PubChem CID 95553390) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is (2R)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine
PubChem CID95553390
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name(2R)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine
SMILESCOCCn1cncc1CN1CCO[C@@H](C(F)(F)F)C1
InChIInChI=1S/C12H18F3N3O2/c1-19-4-3-18-9-16-6-10(18)7-17-2-5-20-11(8-17)12(13,14)15/h6,9,11H,2-5,7-8H2,1H3/t11-/m1/s1
InChIKeyZXNHAKLWBNYJCT-LLVKDONJSA-N
XLogP1.29
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine
CID 97471136
N,N-dimethyl-1-[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine
CID 118739392
N-ethyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]ethanamine
CID 118746023
4-[(3-Propan-2-ylimidazol-4-yl)methyl]-2-(trifluoromethyl)morpholine
CID 56864764
2-[4-[(3-Propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 66153268
1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine
CID 77096665
4-(2-methoxyethoxy)-1-[(1-methyl-1H-imidazol-5-yl)methyl]piperidine
CID 90648579
N-[(1-isopropyl-1H-imidazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine
CID 91776525
(2S)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine
CID 95553389
N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 98323777
N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine
CID 119123822
(2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 124753447

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine?
The IUPAC name of (2R)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine (CID 95553390) is (2R)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2R)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2R)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine is COCCn1cncc1CN1CCO[C@@H](C(F)(F)F)C1.
What is the InChIKey of (2R)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine?
The InChIKey is ZXNHAKLWBNYJCT-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-19-4-3-18-9-16-6-10(18)7-17-2-5-20-11(8-17)12(13,14)15/h6,9,11H,2-5,7-8H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine?
(2R)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine has a molecular weight of 293.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 95553390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).