2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol

C14H29F3N2O — CID 107486903

IUPAC2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCC(C)(CNC(C)(C)C)CN(CCO)CC(F)(F)F
InChIInChI=1S/C14H29F3N2O/c1-6-13(5,9-18-12(2,3)4)10-19(7-8-20)11-14(15,16)17/h18,20H,6-11H2,1-5H3
InChIKeyXQKFIKROEAWHJE-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.65
Rot. Bonds8

About 2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107486903) has the molecular formula C14H29F3N2O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107486903
Molecular FormulaC14H29F3N2O
Molecular Weight298.39 g/mol
Exact Mass298.22
IUPAC Name2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCC(C)(CNC(C)(C)C)CN(CCO)CC(F)(F)F
InChIInChI=1S/C14H29F3N2O/c1-6-13(5,9-18-12(2,3)4)10-19(7-8-20)11-14(15,16)17/h18,20H,6-11H2,1-5H3
InChIKeyXQKFIKROEAWHJE-UHFFFAOYSA-N
XLogP2.65
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62257217
N-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62263394
2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-ethylamino]ethanol
CID 55051933
2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484736
N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
CID 62261000
N-tert-butyl-2-ethyl-2-methylbutan-1-amine
CID 62724057
2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486939
2-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486979
2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62255881
2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484786
N-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
CID 62425905
2-[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]ethanol
CID 103865004

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107486903) is 2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol is CCC(C)(CNC(C)(C)C)CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is XQKFIKROEAWHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F3N2O/c1-6-13(5,9-18-12(2,3)4)10-19(7-8-20)11-14(15,16)17/h18,20H,6-11H2,1-5H3.
What are the key properties of 2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 298.39 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107486903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).