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

C12H25F3N2O — CID 107478687

IUPAC2-[(4-amino-2,2-dimethylhexan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCC(N)C(N(CCO)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H25F3N2O/c1-5-9(16)10(11(2,3)4)17(6-7-18)8-12(13,14)15/h9-10,18H,5-8,16H2,1-4H3
InChIKeyFWTXHYMETBPUOD-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.00
Rot. Bonds6

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

2-[(4-amino-2,2-dimethylhexan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107478687) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[(4-amino-2,2-dimethylhexan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-2,2-dimethylhexan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107478687
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC Name2-[(4-amino-2,2-dimethylhexan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCC(N)C(N(CCO)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H25F3N2O/c1-5-9(16)10(11(2,3)4)17(6-7-18)8-12(13,14)15/h9-10,18H,5-8,16H2,1-4H3
InChIKeyFWTXHYMETBPUOD-UHFFFAOYSA-N
XLogP2.00
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.00
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-dimethylhexan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4-amino-2,2-dimethylhexan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107478687) is 2-[(4-amino-2,2-dimethylhexan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-amino-2,2-dimethylhexan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4-amino-2,2-dimethylhexan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol is CCC(N)C(N(CCO)CC(F)(F)F)C(C)(C)C.
What is the InChIKey of 2-[(4-amino-2,2-dimethylhexan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is FWTXHYMETBPUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2O/c1-5-9(16)10(11(2,3)4)17(6-7-18)8-12(13,14)15/h9-10,18H,5-8,16H2,1-4H3.
What are the key properties of 2-[(4-amino-2,2-dimethylhexan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(4-amino-2,2-dimethylhexan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 270.34 g/mol, XLogP of 2.00, 6 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-dimethylhexan-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107478687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).