2-[3-methylbutyl(4-methylpentyl)amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol

C26H34F6N2O — CID 90669385

IUPAC2-[3-methylbutyl(4-methylpentyl)amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol
SMILESCC(C)CCCN(CCC(C)C)CC(O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1
InChIInChI=1S/C26H34F6N2O/c1-17(2)6-5-12-34(13-11-18(3)4)16-23(35)20-14-22(33-24(15-20)26(30,31)32)19-7-9-21(10-8-19)25(27,28)29/h7-10,14-15,17-18,23,35H,5-6,11-13,16H2,1-4H3
InChIKeyWCYISUHZAVDJIH-UHFFFAOYSA-N
MW504.56 g/mol
LogP7.60
Rot. Bonds11

About 2-[3-methylbutyl(4-methylpentyl)amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol

2-[3-methylbutyl(4-methylpentyl)amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol (PubChem CID 90669385) has the molecular formula C26H34F6N2O and a molecular weight of 504.56 g/mol. Its IUPAC name is 2-[3-methylbutyl(4-methylpentyl)amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[3-methylbutyl(4-methylpentyl)amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol
PubChem CID90669385
Molecular FormulaC26H34F6N2O
Molecular Weight504.56 g/mol
Exact Mass504.26
IUPAC Name2-[3-methylbutyl(4-methylpentyl)amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol
SMILESCC(C)CCCN(CCC(C)C)CC(O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1
InChIInChI=1S/C26H34F6N2O/c1-17(2)6-5-12-34(13-11-18(3)4)16-23(35)20-14-22(33-24(15-20)26(30,31)32)19-7-9-21(10-8-19)25(27,28)29/h7-10,14-15,17-18,23,35H,5-6,11-13,16H2,1-4H3
InChIKeyWCYISUHZAVDJIH-UHFFFAOYSA-N
XLogP7.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.56
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-methylbutyl(4-methylpentyl)amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol with MolForge

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Related Compounds

1-[2,8-Bis(trifluoromethyl)-4-quinolyl]-2-(propylamino)ethanol
CID 432290
(3-Methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-p-tolyl-methanol
CID 9882188
Enpiroline
CID 3033333
Piperidin-2-yl-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]methanol
CID 328144
1-[2,8-Bis(trifluoromethyl)-4-quinolyl]-2-(dipropylamino)ethanol
CID 432292
(7R,9S)-7-(((3S,4R)-3-methyl-4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11152739
1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-2-(propan-2-ylamino)ethanol
CID 46232358
1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-2-(butylamino)ethanol
CID 46232872
1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-2-[2-(dimethylamino)ethylamino]ethanol
CID 54578090
1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-2-[di(propan-2-yl)amino]ethanol
CID 91559335
Enpiroline Phosphate
CID 47910
(7R,9S)-7-((4-phenylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894430

Frequently Asked Questions

What is the IUPAC name of 2-[3-methylbutyl(4-methylpentyl)amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol?
The IUPAC name of 2-[3-methylbutyl(4-methylpentyl)amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol (CID 90669385) is 2-[3-methylbutyl(4-methylpentyl)amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol.
What is the SMILES notation for 2-[3-methylbutyl(4-methylpentyl)amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol?
The canonical SMILES for 2-[3-methylbutyl(4-methylpentyl)amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol is CC(C)CCCN(CCC(C)C)CC(O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-methylbutyl(4-methylpentyl)amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol?
The InChIKey is WCYISUHZAVDJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F6N2O/c1-17(2)6-5-12-34(13-11-18(3)4)16-23(35)20-14-22(33-24(15-20)26(30,31)32)19-7-9-21(10-8-19)25(27,28)29/h7-10,14-15,17-18,23,35H,5-6,11-13,16H2,1-4H3.
What are the key properties of 2-[3-methylbutyl(4-methylpentyl)amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol?
2-[3-methylbutyl(4-methylpentyl)amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol has a molecular weight of 504.56 g/mol, XLogP of 7.60, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylbutyl(4-methylpentyl)amino]-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol is sourced from PubChem (CID 90669385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).