2-[(4-amino-2,2-dimethylpentan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol

C11H23F3N2O — CID 107478728

IUPAC2-[(4-amino-2,2-dimethylpentan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(N)C(N(CCO)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H23F3N2O/c1-8(15)9(10(2,3)4)16(5-6-17)7-11(12,13)14/h8-9,17H,5-7,15H2,1-4H3
InChIKeyRNZLEHREXFMZBT-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.60
Rot. Bonds5

About 2-[(4-amino-2,2-dimethylpentan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(4-amino-2,2-dimethylpentan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107478728) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[(4-amino-2,2-dimethylpentan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-2,2-dimethylpentan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107478728
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name2-[(4-amino-2,2-dimethylpentan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(N)C(N(CCO)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H23F3N2O/c1-8(15)9(10(2,3)4)16(5-6-17)7-11(12,13)14/h8-9,17H,5-7,15H2,1-4H3
InChIKeyRNZLEHREXFMZBT-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2,2-dimethylpentan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4-amino-2,2-dimethylpentan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107478728) is 2-[(4-amino-2,2-dimethylpentan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-amino-2,2-dimethylpentan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4-amino-2,2-dimethylpentan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol is CC(N)C(N(CCO)CC(F)(F)F)C(C)(C)C.
What is the InChIKey of 2-[(4-amino-2,2-dimethylpentan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is RNZLEHREXFMZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-8(15)9(10(2,3)4)16(5-6-17)7-11(12,13)14/h8-9,17H,5-7,15H2,1-4H3.
What are the key properties of 2-[(4-amino-2,2-dimethylpentan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(4-amino-2,2-dimethylpentan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 256.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2,2-dimethylpentan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107478728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).