2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

C11H21F3N2O2 — CID 107486899

IUPAC2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCNCC1(CN(CCO)CC(F)(F)F)CCOC1
InChIInChI=1S/C11H21F3N2O2/c1-15-6-10(2-5-18-9-10)7-16(3-4-17)8-11(12,13)14/h15,17H,2-9H2,1H3
InChIKeyXVFPFUBKKBEISW-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.47
Rot. Bonds7

About 2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107486899) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107486899
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCNCC1(CN(CCO)CC(F)(F)F)CCOC1
InChIInChI=1S/C11H21F3N2O2/c1-15-6-10(2-5-18-9-10)7-16(3-4-17)8-11(12,13)14/h15,17H,2-9H2,1H3
InChIKeyXVFPFUBKKBEISW-UHFFFAOYSA-N
XLogP0.47
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol
CID 62260430
2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486759
[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol
CID 62271115
2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol
CID 107486619
N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine
CID 62262712
3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine
CID 107871141
3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carbaldehyde
CID 107486422
2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62258450
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62262394
2-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486890
2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486979
N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 62259456

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107486899) is 2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is CNCC1(CN(CCO)CC(F)(F)F)CCOC1.
What is the InChIKey of 2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is XVFPFUBKKBEISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-15-6-10(2-5-18-9-10)7-16(3-4-17)8-11(12,13)14/h15,17H,2-9H2,1H3.
What are the key properties of 2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 270.29 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107486899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).