2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-1-morpholin-4-ylpropan-1-one

C19H27F3N2O3 — CID 60524287

IUPAC2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCc1cc(CN(C)C(C)C(=O)N2CCOCC2)cc(C)c1OCC(F)(F)F
InChIInChI=1S/C19H27F3N2O3/c1-13-9-16(10-14(2)17(13)27-12-19(20,21)22)11-23(4)15(3)18(25)24-5-7-26-8-6-24/h9-10,15H,5-8,11-12H2,1-4H3
InChIKeyKAPXDQQFGFOZPP-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.92
Rot. Bonds6

About 2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-1-morpholin-4-ylpropan-1-one

2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 60524287) has the molecular formula C19H27F3N2O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID60524287
Molecular FormulaC19H27F3N2O3
Molecular Weight388.43 g/mol
Exact Mass388.20
IUPAC Name2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCc1cc(CN(C)C(C)C(=O)N2CCOCC2)cc(C)c1OCC(F)(F)F
InChIInChI=1S/C19H27F3N2O3/c1-13-9-16(10-14(2)17(13)27-12-19(20,21)22)11-23(4)15(3)18(25)24-5-7-26-8-6-24/h9-10,15H,5-8,11-12H2,1-4H3
InChIKeyKAPXDQQFGFOZPP-UHFFFAOYSA-N
XLogP2.92
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-1-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119740719
methyl 2-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]acetate
CID 60660390
4-amino-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylbenzamide
CID 119740716
1-morpholin-4-yl-2-(2,2,2-trifluoroethoxyamino)propan-1-one
CID 82722110
2-methyl-3-[methyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanenitrile
CID 54983450
3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 28932844
2-[methyl-[(4-methylphenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one
CID 78786460
(2R)-2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]propanamide
CID 94817225
N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119740738
(2S,4S)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120624510
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119740725
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 42912272

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-1-morpholin-4-ylpropan-1-one (CID 60524287) is 2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-1-morpholin-4-ylpropan-1-one is Cc1cc(CN(C)C(C)C(=O)N2CCOCC2)cc(C)c1OCC(F)(F)F.
What is the InChIKey of 2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is KAPXDQQFGFOZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O3/c1-13-9-16(10-14(2)17(13)27-12-19(20,21)22)11-23(4)15(3)18(25)24-5-7-26-8-6-24/h9-10,15H,5-8,11-12H2,1-4H3.
What are the key properties of 2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-1-morpholin-4-ylpropan-1-one?
2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 388.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 60524287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).