2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]amino]ethanol

C21H20ClFN2O2 — CID 70228503

IUPAC2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]amino]ethanol
SMILESCOc1ccc(Cc2ccc(NCCO)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C21H20ClFN2O2/c1-27-18-7-6-16(11-14-5-8-19(25-13-14)24-9-10-26)21(23)20(18)15-3-2-4-17(22)12-15/h2-8,12-13,26H,9-11H2,1H3,(H,24,25)
InChIKeyRUERYDSOPDGQNP-UHFFFAOYSA-N
MW386.85 g/mol
LogP4.54
Rot. Bonds7

About 2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]amino]ethanol

2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]amino]ethanol (PubChem CID 70228503) has the molecular formula C21H20ClFN2O2 and a molecular weight of 386.85 g/mol. Its IUPAC name is 2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]amino]ethanol
PubChem CID70228503
Molecular FormulaC21H20ClFN2O2
Molecular Weight386.85 g/mol
Exact Mass386.12
IUPAC Name2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]amino]ethanol
SMILESCOc1ccc(Cc2ccc(NCCO)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C21H20ClFN2O2/c1-27-18-7-6-16(11-14-5-8-19(25-13-14)24-9-10-26)21(23)20(18)15-3-2-4-17(22)12-15/h2-8,12-13,26H,9-11H2,1H3,(H,24,25)
InChIKeyRUERYDSOPDGQNP-UHFFFAOYSA-N
XLogP4.54
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridin-2-amine;ethane
CID 143810459
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-amine
CID 58020028
2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]-methylamino]ethanol;2-(methylamino)ethanol
CID 160582539
[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanamine;3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propanamide;methane
CID 160583131
1-[(2R)-1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]azetidin-2-yl]ethanone
CID 58020277
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1H-pyridin-2-one
CID 70224222
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidine
CID 58019926
3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-oxidopyridin-1-ium-2-yl]-N-ethylpropanamide
CID 140592593
3-amino-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]phenol;3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-5-nitrophenol
CID 159113776
3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride
CID 68793255
1-[[3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-hydroxy-2H-pyridin-6-yl]methyl]-3-ethylurea
CID 42610873
5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine
CID 140545391

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]amino]ethanol (CID 70228503) is 2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]amino]ethanol is COc1ccc(Cc2ccc(NCCO)nc2)c(F)c1-c1cccc(Cl)c1.
What is the InChIKey of 2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]amino]ethanol?
The InChIKey is RUERYDSOPDGQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O2/c1-27-18-7-6-16(11-14-5-8-19(25-13-14)24-9-10-26)21(23)20(18)15-3-2-4-17(22)12-15/h2-8,12-13,26H,9-11H2,1H3,(H,24,25).
What are the key properties of 2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]amino]ethanol?
2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]amino]ethanol has a molecular weight of 386.85 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 70228503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).