(1R)-1-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol

C15H15F3N2O2 — CID 125145322

IUPAC(1R)-1-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESCOc1ccccc1[C@@H](O)CNc1ncccc1C(F)(F)F
InChIInChI=1S/C15H15F3N2O2/c1-22-13-7-3-2-5-10(13)12(21)9-20-14-11(15(16,17)18)6-4-8-19-14/h2-8,12,21H,9H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyLNSUAKPRNTVLFY-LBPRGKRZSA-N
MW312.29 g/mol
LogP3.25
Rot. Bonds5

About (1R)-1-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol

(1R)-1-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol (PubChem CID 125145322) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is (1R)-1-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name(1R)-1-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol
PubChem CID125145322
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name(1R)-1-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESCOc1ccccc1[C@@H](O)CNc1ncccc1C(F)(F)F
InChIInChI=1S/C15H15F3N2O2/c1-22-13-7-3-2-5-10(13)12(21)9-20-14-11(15(16,17)18)6-4-8-19-14/h2-8,12,21H,9H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyLNSUAKPRNTVLFY-LBPRGKRZSA-N
XLogP3.25
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol with MolForge

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Related Compounds

1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 60503246
ethyl 2-[[2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carboxylate
CID 47082819
3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
CID 66177550
2-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol
CID 72885248
3-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]butanoic acid
CID 65226846
2-methyl-N-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-diamine
CID 66106383
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]guanidine;hydroiodide
CID 111216160
1-(2-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 90371171
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
2,2-difluoro-3-[(3-methoxy-2-pyridinyl)amino]propan-1-ol
CID 106171996
2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 106435613

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The IUPAC name of (1R)-1-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol (CID 125145322) is (1R)-1-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for (1R)-1-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The canonical SMILES for (1R)-1-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol is COc1ccccc1[C@@H](O)CNc1ncccc1C(F)(F)F.
What is the InChIKey of (1R)-1-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The InChIKey is LNSUAKPRNTVLFY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-22-13-7-3-2-5-10(13)12(21)9-20-14-11(15(16,17)18)6-4-8-19-14/h2-8,12,21H,9H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of (1R)-1-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
(1R)-1-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol has a molecular weight of 312.29 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 125145322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).