1-pyridin-2-yl-2-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]ethanol

C17H19F3N2O — CID 167747087

IUPAC1-pyridin-2-yl-2-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]ethanol
SMILESCC(C)(c1cccc(NCC(O)c2ccccn2)c1)C(F)(F)F
InChIInChI=1S/C17H19F3N2O/c1-16(2,17(18,19)20)12-6-5-7-13(10-12)22-11-15(23)14-8-3-4-9-21-14/h3-10,15,22-23H,11H2,1-2H3
InChIKeyXGJHQJYVUCQADD-UHFFFAOYSA-N
MW324.35 g/mol
LogP4.07
Rot. Bonds5

About 1-pyridin-2-yl-2-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]ethanol

1-pyridin-2-yl-2-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]ethanol (PubChem CID 167747087) has the molecular formula C17H19F3N2O and a molecular weight of 324.35 g/mol. Its IUPAC name is 1-pyridin-2-yl-2-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]ethanol.

Molecular Properties

Compound Name1-pyridin-2-yl-2-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]ethanol
PubChem CID167747087
Molecular FormulaC17H19F3N2O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name1-pyridin-2-yl-2-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]ethanol
SMILESCC(C)(c1cccc(NCC(O)c2ccccn2)c1)C(F)(F)F
InChIInChI=1S/C17H19F3N2O/c1-16(2,17(18,19)20)12-6-5-7-13(10-12)22-11-15(23)14-8-3-4-9-21-14/h3-10,15,22-23H,11H2,1-2H3
InChIKeyXGJHQJYVUCQADD-UHFFFAOYSA-N
XLogP4.07
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methylanilino)-1-pyridin-2-ylethanol
CID 82044991
2-(2,5-dimethylanilino)-1-pyridin-2-ylethanol
CID 82044534
3-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82408899
CID 172780589
CID 172780589
2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 110896910
2-[4-(difluoromethylsulfonyl)anilino]-1-pyridin-2-ylethanol
CID 75457516
3-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]propane-1,2-diol
CID 168593889
1-(3-bromophenyl)-2-[3-(trifluoromethyl)anilino]ethanol
CID 60897660
4-[2-(3-tert-butylanilino)-1-hydroxyethyl]-1,3-dihydroimidazole-2-thione
CID 175538774
2-pyridin-2-yl-2-[3-(trifluoromethyl)anilino]acetonitrile
CID 101120853
5-methyl-1-pyridin-2-ylhexan-1-ol
CID 83158842
2-chloro-1-pyridin-2-ylethanol
CID 22145518

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-2-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]ethanol?
The IUPAC name of 1-pyridin-2-yl-2-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]ethanol (CID 167747087) is 1-pyridin-2-yl-2-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]ethanol.
What is the SMILES notation for 1-pyridin-2-yl-2-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]ethanol?
The canonical SMILES for 1-pyridin-2-yl-2-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]ethanol is CC(C)(c1cccc(NCC(O)c2ccccn2)c1)C(F)(F)F.
What is the InChIKey of 1-pyridin-2-yl-2-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]ethanol?
The InChIKey is XGJHQJYVUCQADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O/c1-16(2,17(18,19)20)12-6-5-7-13(10-12)22-11-15(23)14-8-3-4-9-21-14/h3-10,15,22-23H,11H2,1-2H3.
What are the key properties of 1-pyridin-2-yl-2-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]ethanol?
1-pyridin-2-yl-2-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]ethanol has a molecular weight of 324.35 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-2-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]ethanol is sourced from PubChem (CID 167747087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).