2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol

C20H19FN2O2 — CID 123610587

IUPAC2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol
SMILESCOc1cc(-c2cncc(NC(CO)c3ccccc3)c2)ccc1F
InChIInChI=1S/C20H19FN2O2/c1-25-20-10-15(7-8-18(20)21)16-9-17(12-22-11-16)23-19(13-24)14-5-3-2-4-6-14/h2-12,19,23-24H,13H2,1H3
InChIKeyFDVYOFPJKXGOTR-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.04
Rot. Bonds6

About 2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol

2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol (PubChem CID 123610587) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol
PubChem CID123610587
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol
SMILESCOc1cc(-c2cncc(NC(CO)c3ccccc3)c2)ccc1F
InChIInChI=1S/C20H19FN2O2/c1-25-20-10-15(7-8-18(20)21)16-9-17(12-22-11-16)23-19(13-24)14-5-3-2-4-6-14/h2-12,19,23-24H,13H2,1H3
InChIKeyFDVYOFPJKXGOTR-UHFFFAOYSA-N
XLogP4.04
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol
CID 11163875
2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol
CID 123984384
2-[[5-(1,3-benzodioxol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 90220993
2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol
CID 123630878
2-[[5-(3-methylsulfanyl-1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 90220836
5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 118378577
4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945331
2-[[2-[[5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]amino]ethanol
CID 90220920
2-[[5-(2-fluoro-5-methoxyphenyl)-3-pyridinyl]amino]-2-phenylacetamide
CID 73331071
2-[[5-(3-chloro-4-fluorophenyl)-3-pyridinyl]amino]-2-phenylacetamide
CID 73330922
(2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide
CID 174678732
2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol
CID 135428154

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol?
The IUPAC name of 2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol (CID 123610587) is 2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol.
What is the SMILES notation for 2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol?
The canonical SMILES for 2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol is COc1cc(-c2cncc(NC(CO)c3ccccc3)c2)ccc1F.
What is the InChIKey of 2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol?
The InChIKey is FDVYOFPJKXGOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-25-20-10-15(7-8-18(20)21)16-9-17(12-22-11-16)23-19(13-24)14-5-3-2-4-6-14/h2-12,19,23-24H,13H2,1H3.
What are the key properties of 2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol?
2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol has a molecular weight of 338.38 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol is sourced from PubChem (CID 123610587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).