2-(dibutylamino)-1-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol

C23H28F6N2O — CID 90669698

IUPAC2-(dibutylamino)-1-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol
SMILESCCCCN(CCCC)CC(O)c1cc(-c2ccccc2C(F)(F)F)nc(C(F)(F)F)c1
InChIInChI=1S/C23H28F6N2O/c1-3-5-11-31(12-6-4-2)15-20(32)16-13-19(30-21(14-16)23(27,28)29)17-9-7-8-10-18(17)22(24,25)26/h7-10,13-14,20,32H,3-6,11-12,15H2,1-2H3
InChIKeyUSIMIOSJLHIFKW-UHFFFAOYSA-N
MW462.48 g/mol
LogP6.72
Rot. Bonds10

About 2-(dibutylamino)-1-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol

2-(dibutylamino)-1-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol (PubChem CID 90669698) has the molecular formula C23H28F6N2O and a molecular weight of 462.48 g/mol. Its IUPAC name is 2-(dibutylamino)-1-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol.

Molecular Properties

Compound Name2-(dibutylamino)-1-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol
PubChem CID90669698
Molecular FormulaC23H28F6N2O
Molecular Weight462.48 g/mol
Exact Mass462.21
IUPAC Name2-(dibutylamino)-1-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol
SMILESCCCCN(CCCC)CC(O)c1cc(-c2ccccc2C(F)(F)F)nc(C(F)(F)F)c1
InChIInChI=1S/C23H28F6N2O/c1-3-5-11-31(12-6-4-2)15-20(32)16-13-19(30-21(14-16)23(27,28)29)17-9-7-8-10-18(17)22(24,25)26/h7-10,13-14,20,32H,3-6,11-12,15H2,1-2H3
InChIKeyUSIMIOSJLHIFKW-UHFFFAOYSA-N
XLogP6.72
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.48
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(dibutylamino)-1-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]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-(dibutylamino)-1-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol?
The IUPAC name of 2-(dibutylamino)-1-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol (CID 90669698) is 2-(dibutylamino)-1-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol.
What is the SMILES notation for 2-(dibutylamino)-1-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol?
The canonical SMILES for 2-(dibutylamino)-1-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol is CCCCN(CCCC)CC(O)c1cc(-c2ccccc2C(F)(F)F)nc(C(F)(F)F)c1.
What is the InChIKey of 2-(dibutylamino)-1-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol?
The InChIKey is USIMIOSJLHIFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F6N2O/c1-3-5-11-31(12-6-4-2)15-20(32)16-13-19(30-21(14-16)23(27,28)29)17-9-7-8-10-18(17)22(24,25)26/h7-10,13-14,20,32H,3-6,11-12,15H2,1-2H3.
What are the key properties of 2-(dibutylamino)-1-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol?
2-(dibutylamino)-1-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol has a molecular weight of 462.48 g/mol, XLogP of 6.72, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-1-[2-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol is sourced from PubChem (CID 90669698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).