1-[(2S)-4-methylmorpholin-2-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine

C12H19F3N4O — CID 95159135

IUPAC1-[(2S)-4-methylmorpholin-2-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
SMILESCN1CCO[C@@H](CNCc2nccn2CC(F)(F)F)C1
InChIInChI=1S/C12H19F3N4O/c1-18-4-5-20-10(8-18)6-16-7-11-17-2-3-19(11)9-12(13,14)15/h2-3,10,16H,4-9H2,1H3/t10-/m0/s1
InChIKeyNHONWUUSVQWEBM-JTQLQIEISA-N
MW292.30 g/mol
LogP0.87
Rot. Bonds5

About 1-[(2S)-4-methylmorpholin-2-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine

1-[(2S)-4-methylmorpholin-2-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine (PubChem CID 95159135) has the molecular formula C12H19F3N4O and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-[(2S)-4-methylmorpholin-2-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[(2S)-4-methylmorpholin-2-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
PubChem CID95159135
Molecular FormulaC12H19F3N4O
Molecular Weight292.30 g/mol
Exact Mass292.15
IUPAC Name1-[(2S)-4-methylmorpholin-2-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
SMILESCN1CCO[C@@H](CNCc2nccn2CC(F)(F)F)C1
InChIInChI=1S/C12H19F3N4O/c1-18-4-5-20-10(8-18)6-16-7-11-17-2-3-19(11)9-12(13,14)15/h2-3,10,16H,4-9H2,1H3/t10-/m0/s1
InChIKeyNHONWUUSVQWEBM-JTQLQIEISA-N
XLogP0.87
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-methylmorpholin-2-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine?
The IUPAC name of 1-[(2S)-4-methylmorpholin-2-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine (CID 95159135) is 1-[(2S)-4-methylmorpholin-2-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-[(2S)-4-methylmorpholin-2-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-[(2S)-4-methylmorpholin-2-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine is CN1CCO[C@@H](CNCc2nccn2CC(F)(F)F)C1.
What is the InChIKey of 1-[(2S)-4-methylmorpholin-2-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine?
The InChIKey is NHONWUUSVQWEBM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-18-4-5-20-10(8-18)6-16-7-11-17-2-3-19(11)9-12(13,14)15/h2-3,10,16H,4-9H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-4-methylmorpholin-2-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine?
1-[(2S)-4-methylmorpholin-2-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine has a molecular weight of 292.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-methylmorpholin-2-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine is sourced from PubChem (CID 95159135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).