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

C15H31F3N2O — CID 107486837

IUPAC2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCC(C)(CNC(C)(C)C)CN(CCO)CC(F)(F)F
InChIInChI=1S/C15H31F3N2O/c1-6-7-14(5,10-19-13(2,3)4)11-20(8-9-21)12-15(16,17)18/h19,21H,6-12H2,1-5H3
InChIKeyYLOUXSZSKIYDEF-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.04
Rot. Bonds9

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

2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107486837) has the molecular formula C15H31F3N2O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107486837
Molecular FormulaC15H31F3N2O
Molecular Weight312.42 g/mol
Exact Mass312.24
IUPAC Name2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCC(C)(CNC(C)(C)C)CN(CCO)CC(F)(F)F
InChIInChI=1S/C15H31F3N2O/c1-6-7-14(5,10-19-13(2,3)4)11-20(8-9-21)12-15(16,17)18/h19,21H,6-12H2,1-5H3
InChIKeyYLOUXSZSKIYDEF-UHFFFAOYSA-N
XLogP3.04
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107486837) is 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2,2-trifluoroethyl)amino]ethanol is CCCC(C)(CNC(C)(C)C)CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is YLOUXSZSKIYDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31F3N2O/c1-6-7-14(5,10-19-13(2,3)4)11-20(8-9-21)12-15(16,17)18/h19,21H,6-12H2,1-5H3.
What are the key properties of 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 312.42 g/mol, XLogP of 3.04, 9 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-methylpentyl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107486837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).