2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

C14H27F3N2O — CID 107486759

IUPAC2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCNCC1(CN(CCO)CC(F)(F)F)CCC(C)CC1
InChIInChI=1S/C14H27F3N2O/c1-12-3-5-13(6-4-12,9-18-2)10-19(7-8-20)11-14(15,16)17/h12,18,20H,3-11H2,1-2H3
InChIKeyVXOOPJXXAASKSB-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.26
Rot. Bonds7

About 2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107486759) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107486759
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCNCC1(CN(CCO)CC(F)(F)F)CCC(C)CC1
InChIInChI=1S/C14H27F3N2O/c1-12-3-5-13(6-4-12,9-18-2)10-19(7-8-20)11-14(15,16)17/h12,18,20H,3-11H2,1-2H3
InChIKeyVXOOPJXXAASKSB-UHFFFAOYSA-N
XLogP2.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Analyze 2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486899
2-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486890
2-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486906
2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486979
2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol
CID 62255853
N'-ethyl-N,N-dimethyl-N'-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]propane-1,3-diamine
CID 102997145
2-[benzyl-[[1-[(cyclopropylamino)methyl]-4-methylcyclohexyl]methyl]amino]ethanol
CID 113242310
N-(3-methylbutyl)-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]cyclopropanamine
CID 79025921
1-[[methyl-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]amino]methyl]cyclopentan-1-ol
CID 114953505
[4-methyl-1-(methylaminomethyl)cyclohexyl]methanamine
CID 115442703
6-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 107487240
N-methyl-N-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl]-2-propan-2-yloxyethanamine
CID 81074520

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107486759) is 2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is CNCC1(CN(CCO)CC(F)(F)F)CCC(C)CC1.
What is the InChIKey of 2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is VXOOPJXXAASKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-12-3-5-13(6-4-12,9-18-2)10-19(7-8-20)11-14(15,16)17/h12,18,20H,3-11H2,1-2H3.
What are the key properties of 2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 296.38 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-1-(methylaminomethyl)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107486759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).