2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol

C14H27F3N2O — CID 107486939

IUPAC2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCC(CC)(CNC1CC1)CN(CCO)CC(F)(F)F
InChIInChI=1S/C14H27F3N2O/c1-3-13(4-2,9-18-12-5-6-12)10-19(7-8-20)11-14(15,16)17/h12,18,20H,3-11H2,1-2H3
InChIKeySCDGSVLKEBQWKI-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.40
Rot. Bonds10

About 2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107486939) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107486939
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCC(CC)(CNC1CC1)CN(CCO)CC(F)(F)F
InChIInChI=1S/C14H27F3N2O/c1-3-13(4-2,9-18-12-5-6-12)10-19(7-8-20)11-14(15,16)17/h12,18,20H,3-11H2,1-2H3
InChIKeySCDGSVLKEBQWKI-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-propylamino]ethanol
CID 55056097
2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484736
N'-cyclopropyl-2,2-diethyl-N,N-bis(2-methylpropyl)propane-1,3-diamine
CID 63495326
N-cyclopropyl-N'-(2-ethoxyethyl)-N',2,2-triethylpropane-1,3-diamine
CID 55225955
N,N'-dicyclopropyl-2,2-diethyl-N'-propylpropane-1,3-diamine
CID 62263843
2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486903
2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495504
2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol
CID 55056370
3-[[2-[(cyclopropylamino)methyl]-2-methylbutyl]-ethylamino]propan-1-ol
CID 113469034
N-cyclohexyl-N'-cyclopropyl-2,2-diethyl-N-methylpropane-1,3-diamine
CID 62263046
N'-cyclopropyl-2,2-diethylpropane-1,3-diamine
CID 115432791
N,2,2-triethyl-N'-methyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 55056657

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107486939) is 2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol is CCC(CC)(CNC1CC1)CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is SCDGSVLKEBQWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-3-13(4-2,9-18-12-5-6-12)10-19(7-8-20)11-14(15,16)17/h12,18,20H,3-11H2,1-2H3.
What are the key properties of 2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 296.38 g/mol, XLogP of 2.40, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107486939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).