2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol

C15H15F3N2O — CID 60899811

IUPAC2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNCc1ccncc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)13-3-1-12(2-4-13)14(21)10-20-9-11-5-7-19-8-6-11/h1-8,14,20-21H,9-10H2
InChIKeyXUSDBNBOLGAZJQ-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.92
Rot. Bonds5

About 2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol

2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 60899811) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID60899811
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNCc1ccncc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)13-3-1-12(2-4-13)14(21)10-20-9-11-5-7-19-8-6-11/h1-8,14,20-21H,9-10H2
InChIKeyXUSDBNBOLGAZJQ-UHFFFAOYSA-N
XLogP2.92
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol
CID 134033677
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 106371948
(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
CID 964925
2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60901206
(1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 46893460
1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 56765522
4-[[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380821
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
(2R,3R,4R,5S)-6-(pyridin-4-ylmethylamino)hexane-1,2,3,4,5-pentol
CID 22797318
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
1-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpentan-2-ol
CID 106292709

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol (CID 60899811) is 2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol is OC(CNCc1ccncc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is XUSDBNBOLGAZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c16-15(17,18)13-3-1-12(2-4-13)14(21)10-20-9-11-5-7-19-8-6-11/h1-8,14,20-21H,9-10H2.
What are the key properties of 2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol?
2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 296.29 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 60899811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).