2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]ethanol

C20H17Cl2FN2O2 — CID 75229191

IUPAC2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]ethanol
SMILESCOc1cc(-c2cncc(F)c2)ccc1C(O)C(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H17Cl2FN2O2/c1-27-18-8-11(13-6-14(23)10-25-9-13)2-4-15(18)20(26)19(24)12-3-5-16(21)17(22)7-12/h2-10,19-20,26H,24H2,1H3
InChIKeyYBFHYMCDVFTTDP-UHFFFAOYSA-N
MW407.27 g/mol
LogP4.94
Rot. Bonds5

About 2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]ethanol

2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]ethanol (PubChem CID 75229191) has the molecular formula C20H17Cl2FN2O2 and a molecular weight of 407.27 g/mol. Its IUPAC name is 2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]ethanol
PubChem CID75229191
Molecular FormulaC20H17Cl2FN2O2
Molecular Weight407.27 g/mol
Exact Mass406.07
IUPAC Name2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]ethanol
SMILESCOc1cc(-c2cncc(F)c2)ccc1C(O)C(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H17Cl2FN2O2/c1-27-18-8-11(13-6-14(23)10-25-9-13)2-4-15(18)20(26)19(24)12-3-5-16(21)17(22)7-12/h2-10,19-20,26H,24H2,1H3
InChIKeyYBFHYMCDVFTTDP-UHFFFAOYSA-N
XLogP4.94
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S)-2-(3,4-dichlorophenyl)-1-(5-methoxy-3-pyridinyl)-3-(methylamino)propan-1-ol
CID 118675443
(1R,2R)-2-(3,4-dichlorophenyl)-1-(2-methoxy-3-pyridinyl)-3-(methylamino)propan-1-ol
CID 118675593
(1R,2R)-2-(3,4-dichlorophenyl)-1-(5-methoxy-3-pyridinyl)-3-(methylamino)propan-1-ol
CID 118675647
(1R,2S)-2-(3,4-dichlorophenyl)-1-(2-methoxypyridin-3-yl)-3-(methylamino)propan-1-ol
CID 118675747
(1R,2S)-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)phenyl]-2-(methylamino)ethanol
CID 46892164
(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)-2-methylphenyl]ethanol
CID 46892799
(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)-3-methoxyphenyl]ethanol
CID 46892921
(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]ethanol
CID 46892925
(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethanol
CID 46893044
(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)-3-methylphenyl]ethanol
CID 46893167
(1S,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[3-fluoro-5-(3-methoxyphenyl)-2-pyridinyl]ethanol
CID 59446328
(1S,2R)-1-(3,4-dichlorophenyl)-2-ethoxy-2-[4-(5-fluoro-3-pyridinyl)phenyl]ethanamine
CID 59446357

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]ethanol?
The IUPAC name of 2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]ethanol (CID 75229191) is 2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]ethanol.
What is the SMILES notation for 2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]ethanol?
The canonical SMILES for 2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]ethanol is COc1cc(-c2cncc(F)c2)ccc1C(O)C(N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]ethanol?
The InChIKey is YBFHYMCDVFTTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2FN2O2/c1-27-18-8-11(13-6-14(23)10-25-9-13)2-4-15(18)20(26)19(24)12-3-5-16(21)17(22)7-12/h2-10,19-20,26H,24H2,1H3.
What are the key properties of 2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]ethanol?
2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]ethanol has a molecular weight of 407.27 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]ethanol is sourced from PubChem (CID 75229191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).