2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol

C20H17F3N2O2 — CID 123630878

IUPAC2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol
SMILESOCC(Nc1cncc(-c2cccc(OC(F)(F)F)c2)c1)c1ccccc1
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)27-18-8-4-7-15(10-18)16-9-17(12-24-11-16)25-19(13-26)14-5-2-1-3-6-14/h1-12,19,25-26H,13H2
InChIKeyNZIQBGLREBYQFP-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.79
Rot. Bonds6

About 2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol

2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol (PubChem CID 123630878) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol
PubChem CID123630878
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol
SMILESOCC(Nc1cncc(-c2cccc(OC(F)(F)F)c2)c1)c1ccccc1
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)27-18-8-4-7-15(10-18)16-9-17(12-24-11-16)25-19(13-26)14-5-2-1-3-6-14/h1-12,19,25-26H,13H2
InChIKeyNZIQBGLREBYQFP-UHFFFAOYSA-N
XLogP4.79
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol
CID 123610587
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 52937146
3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 134626972
3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089266
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide
CID 110001668
5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 118378577
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336
2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol
CID 11163875
[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 24729919

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol?
The IUPAC name of 2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol (CID 123630878) is 2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol?
The canonical SMILES for 2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol is OCC(Nc1cncc(-c2cccc(OC(F)(F)F)c2)c1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol?
The InChIKey is NZIQBGLREBYQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c21-20(22,23)27-18-8-4-7-15(10-18)16-9-17(12-24-11-16)25-19(13-26)14-5-2-1-3-6-14/h1-12,19,25-26H,13H2.
What are the key properties of 2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol?
2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol has a molecular weight of 374.36 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol is sourced from PubChem (CID 123630878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).