2-[(4-propan-2-ylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

C12H23F3N2O2 — CID 103857857

IUPAC2-[(4-propan-2-ylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)N1CCOC(CN(CCO)CC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O2/c1-10(2)17-4-6-19-11(8-17)7-16(3-5-18)9-12(13,14)15/h10-11,18H,3-9H2,1-2H3
InChIKeySXDGZHDXVVGUDV-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.95
Rot. Bonds6

About 2-[(4-propan-2-ylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[(4-propan-2-ylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103857857) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(4-propan-2-ylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-propan-2-ylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103857857
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name2-[(4-propan-2-ylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)N1CCOC(CN(CCO)CC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O2/c1-10(2)17-4-6-19-11(8-17)7-16(3-5-18)9-12(13,14)15/h10-11,18H,3-9H2,1-2H3
InChIKeySXDGZHDXVVGUDV-UHFFFAOYSA-N
XLogP0.95
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-propan-2-ylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

1-[4-[2-(2,2,2-Trifluoroethoxy)ethyl]piperazin-1-yl]propan-2-ol
CID 53590537
morpholine, N-(3-(bis-2-hydroxypropyl)aminopropyl)-
CID 140835153
1,1,1-Trifluoro-3-morpholin-4-ylpropan-2-ol
CID 4422171
1,1-Difluoro-3-(4-methylmorpholin-4-ium-4-yl)propane-2,2-diol
CID 381784
3-(2,2-Dimethylmorpholin-4-yl)-1,1,1-trifluoropropan-2-ol
CID 63901430
3-[3,5-Dimethyl-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 86807143
N,N-dimethyl-1-[(2S)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine
CID 95332225
1,1,1-Trifluoro-3-[2-(methoxymethyl)-6-methylmorpholin-4-yl]propan-2-ol
CID 121516307
2-Methyl-4-propan-2-yl-6-(trifluoromethyl)morpholine
CID 68270830
4-Propan-2-yl-2-(trifluoromethyl)morpholine
CID 68270831
2-(1,1-Difluoroethyl)-4-propan-2-ylmorpholine
CID 118390753
(2R,6S)-2-(1,1-difluoroethyl)-6-methyl-4-propan-2-ylmorpholine
CID 118390757

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4-propan-2-ylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 103857857) is 2-[(4-propan-2-ylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-propan-2-ylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4-propan-2-ylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is CC(C)N1CCOC(CN(CCO)CC(F)(F)F)C1.
What is the InChIKey of 2-[(4-propan-2-ylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is SXDGZHDXVVGUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-10(2)17-4-6-19-11(8-17)7-16(3-5-18)9-12(13,14)15/h10-11,18H,3-9H2,1-2H3.
What are the key properties of 2-[(4-propan-2-ylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(4-propan-2-ylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 284.32 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103857857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).