2-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

C14H27F3N2O — CID 107486962

IUPAC2-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCNC1CCC(C)(C)CC1CN(CCO)CC(F)(F)F
InChIInChI=1S/C14H27F3N2O/c1-13(2)5-4-12(18-3)11(8-13)9-19(6-7-20)10-14(15,16)17/h11-12,18,20H,4-10H2,1-3H3
InChIKeyGZIQGGDWGAANBB-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.26
Rot. Bonds6

About 2-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107486962) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107486962
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name2-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCNC1CCC(C)(C)CC1CN(CCO)CC(F)(F)F
InChIInChI=1S/C14H27F3N2O/c1-13(2)5-4-12(18-3)11(8-13)9-19(6-7-20)10-14(15,16)17/h11-12,18,20H,4-10H2,1-3H3
InChIKeyGZIQGGDWGAANBB-UHFFFAOYSA-N
XLogP2.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107486962) is 2-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is CNC1CCC(C)(C)CC1CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is GZIQGGDWGAANBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-13(2)5-4-12(18-3)11(8-13)9-19(6-7-20)10-14(15,16)17/h11-12,18,20H,4-10H2,1-3H3.
What are the key properties of 2-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 296.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107486962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).