2-[[4,4-dimethyl-3-(methylamino)pentyl]-(2,2,2-trifluoroethyl)amino]ethanol

C12H25F3N2O — CID 107486790

IUPAC2-[[4,4-dimethyl-3-(methylamino)pentyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCNC(CCN(CCO)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H25F3N2O/c1-11(2,3)10(16-4)5-6-17(7-8-18)9-12(13,14)15/h10,16,18H,5-9H2,1-4H3
InChIKeyFYBZXVXEYVOBJP-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.87
Rot. Bonds7

About 2-[[4,4-dimethyl-3-(methylamino)pentyl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[4,4-dimethyl-3-(methylamino)pentyl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107486790) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[[4,4-dimethyl-3-(methylamino)pentyl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4,4-dimethyl-3-(methylamino)pentyl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107486790
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC Name2-[[4,4-dimethyl-3-(methylamino)pentyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCNC(CCN(CCO)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H25F3N2O/c1-11(2,3)10(16-4)5-6-17(7-8-18)9-12(13,14)15/h10,16,18H,5-9H2,1-4H3
InChIKeyFYBZXVXEYVOBJP-UHFFFAOYSA-N
XLogP1.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[4,4-dimethyl-3-(methylamino)pentyl]-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4,4-dimethyl-3-(methylamino)pentyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4,4-dimethyl-3-(methylamino)pentyl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107486790) is 2-[[4,4-dimethyl-3-(methylamino)pentyl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4,4-dimethyl-3-(methylamino)pentyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4,4-dimethyl-3-(methylamino)pentyl]-(2,2,2-trifluoroethyl)amino]ethanol is CNC(CCN(CCO)CC(F)(F)F)C(C)(C)C.
What is the InChIKey of 2-[[4,4-dimethyl-3-(methylamino)pentyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is FYBZXVXEYVOBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2O/c1-11(2,3)10(16-4)5-6-17(7-8-18)9-12(13,14)15/h10,16,18H,5-9H2,1-4H3.
What are the key properties of 2-[[4,4-dimethyl-3-(methylamino)pentyl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[4,4-dimethyl-3-(methylamino)pentyl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 270.34 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,4-dimethyl-3-(methylamino)pentyl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107486790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).