2-[(5-amino-4,4-dimethylpentyl)-(2,2,2-trifluoroethyl)amino]ethanol

C11H23F3N2O — CID 107478939

IUPAC2-[(5-amino-4,4-dimethylpentyl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)(CN)CCCN(CCO)CC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-10(2,8-15)4-3-5-16(6-7-17)9-11(12,13)14/h17H,3-9,15H2,1-2H3
InChIKeyFGESTSMZXNTFEU-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.61
Rot. Bonds8

About 2-[(5-amino-4,4-dimethylpentyl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(5-amino-4,4-dimethylpentyl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107478939) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[(5-amino-4,4-dimethylpentyl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-4,4-dimethylpentyl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107478939
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name2-[(5-amino-4,4-dimethylpentyl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)(CN)CCCN(CCO)CC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-10(2,8-15)4-3-5-16(6-7-17)9-11(12,13)14/h17H,3-9,15H2,1-2H3
InChIKeyFGESTSMZXNTFEU-UHFFFAOYSA-N
XLogP1.61
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4,4-dimethylpentyl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-amino-4,4-dimethylpentyl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107478939) is 2-[(5-amino-4,4-dimethylpentyl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-amino-4,4-dimethylpentyl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-amino-4,4-dimethylpentyl)-(2,2,2-trifluoroethyl)amino]ethanol is CC(C)(CN)CCCN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[(5-amino-4,4-dimethylpentyl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is FGESTSMZXNTFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-10(2,8-15)4-3-5-16(6-7-17)9-11(12,13)14/h17H,3-9,15H2,1-2H3.
What are the key properties of 2-[(5-amino-4,4-dimethylpentyl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(5-amino-4,4-dimethylpentyl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 256.31 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4,4-dimethylpentyl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107478939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).