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

C10H21F3N2O — CID 107478937

IUPAC2-[(4-amino-3,3-dimethylbutyl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)(CN)CCN(CCO)CC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-9(2,7-14)3-4-15(5-6-16)8-10(11,12)13/h16H,3-8,14H2,1-2H3
InChIKeyJPUJHTSSKJXPSE-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.22
Rot. Bonds7

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

2-[(4-amino-3,3-dimethylbutyl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107478937) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[(4-amino-3,3-dimethylbutyl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-3,3-dimethylbutyl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107478937
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC Name2-[(4-amino-3,3-dimethylbutyl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)(CN)CCN(CCO)CC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-9(2,7-14)3-4-15(5-6-16)8-10(11,12)13/h16H,3-8,14H2,1-2H3
InChIKeyJPUJHTSSKJXPSE-UHFFFAOYSA-N
XLogP1.22
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3,3-dimethylbutyl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4-amino-3,3-dimethylbutyl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107478937) is 2-[(4-amino-3,3-dimethylbutyl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-amino-3,3-dimethylbutyl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4-amino-3,3-dimethylbutyl)-(2,2,2-trifluoroethyl)amino]ethanol is CC(C)(CN)CCN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[(4-amino-3,3-dimethylbutyl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is JPUJHTSSKJXPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-9(2,7-14)3-4-15(5-6-16)8-10(11,12)13/h16H,3-8,14H2,1-2H3.
What are the key properties of 2-[(4-amino-3,3-dimethylbutyl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(4-amino-3,3-dimethylbutyl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 242.28 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3,3-dimethylbutyl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107478937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).