2-[[4-(methylaminomethyl)oxan-4-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

C12H23F3N2O2 — CID 107487065

IUPAC2-[[4-(methylaminomethyl)oxan-4-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCNCC1(CN(CCO)CC(F)(F)F)CCOCC1
InChIInChI=1S/C12H23F3N2O2/c1-16-8-11(2-6-19-7-3-11)9-17(4-5-18)10-12(13,14)15/h16,18H,2-10H2,1H3
InChIKeySDSRQOIKLZIQIG-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.86
Rot. Bonds7

About 2-[[4-(methylaminomethyl)oxan-4-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[[4-(methylaminomethyl)oxan-4-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107487065) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[[4-(methylaminomethyl)oxan-4-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-(methylaminomethyl)oxan-4-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107487065
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name2-[[4-(methylaminomethyl)oxan-4-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCNCC1(CN(CCO)CC(F)(F)F)CCOCC1
InChIInChI=1S/C12H23F3N2O2/c1-16-8-11(2-6-19-7-3-11)9-17(4-5-18)10-12(13,14)15/h16,18H,2-10H2,1H3
InChIKeySDSRQOIKLZIQIG-UHFFFAOYSA-N
XLogP0.86
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylaminomethyl)oxan-4-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-(methylaminomethyl)oxan-4-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107487065) is 2-[[4-(methylaminomethyl)oxan-4-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-(methylaminomethyl)oxan-4-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-(methylaminomethyl)oxan-4-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is CNCC1(CN(CCO)CC(F)(F)F)CCOCC1.
What is the InChIKey of 2-[[4-(methylaminomethyl)oxan-4-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is SDSRQOIKLZIQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-16-8-11(2-6-19-7-3-11)9-17(4-5-18)10-12(13,14)15/h16,18H,2-10H2,1H3.
What are the key properties of 2-[[4-(methylaminomethyl)oxan-4-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[4-(methylaminomethyl)oxan-4-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 284.32 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylaminomethyl)oxan-4-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107487065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).