2-[4-(3-fluorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-4-methylphenol

C21H21FN2O — CID 137306873

IUPAC2-[4-(3-fluorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cc(-c3cccc(F)c3)cc(NC(C)C)n2)c1
InChIInChI=1S/C21H21FN2O/c1-13(2)23-21-12-16(15-5-4-6-17(22)10-15)11-19(24-21)18-9-14(3)7-8-20(18)25/h4-13,25H,1-3H3,(H,23,24)
InChIKeyYIEBGFKAUBTKGL-UHFFFAOYSA-N
MW336.41 g/mol
LogP5.39
Rot. Bonds4

About 2-[4-(3-fluorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-4-methylphenol

2-[4-(3-fluorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-4-methylphenol (PubChem CID 137306873) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-4-methylphenol.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-4-methylphenol
PubChem CID137306873
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name2-[4-(3-fluorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cc(-c3cccc(F)c3)cc(NC(C)C)n2)c1
InChIInChI=1S/C21H21FN2O/c1-13(2)23-21-12-16(15-5-4-6-17(22)10-15)11-19(24-21)18-9-14(3)7-8-20(18)25/h4-13,25H,1-3H3,(H,23,24)
InChIKeyYIEBGFKAUBTKGL-UHFFFAOYSA-N
XLogP5.39
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.41
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(propan-2-ylamino)-2-pyridinyl]phenol
CID 137290738
1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
CID 46313949
2-fluoro-6-(3-fluorophenyl)-3-(4-methylphenyl)pyridine
CID 59928893
2-[6-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenol;manganese(3+);trichloride
CID 160934491
2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol
CID 137306802
4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]phenol
CID 137290748
N-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide
CID 137290835
N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(2-methylpropylamino)-4-pyridinyl]phenyl]acetamide
CID 137290680
3-[2,6-bis(3-fluorophenyl)-4-pyridinyl]phenol
CID 102179946
4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 60675825
1-fluoro-3-(3-fluorophenyl)-5-methylbenzene
CID 46313952
2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-4-methylphenol
CID 137290609

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-4-methylphenol?
The IUPAC name of 2-[4-(3-fluorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-4-methylphenol (CID 137306873) is 2-[4-(3-fluorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-4-methylphenol.
What is the SMILES notation for 2-[4-(3-fluorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-4-methylphenol?
The canonical SMILES for 2-[4-(3-fluorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-4-methylphenol is Cc1ccc(O)c(-c2cc(-c3cccc(F)c3)cc(NC(C)C)n2)c1.
What is the InChIKey of 2-[4-(3-fluorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-4-methylphenol?
The InChIKey is YIEBGFKAUBTKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c1-13(2)23-21-12-16(15-5-4-6-17(22)10-15)11-19(24-21)18-9-14(3)7-8-20(18)25/h4-13,25H,1-3H3,(H,23,24).
What are the key properties of 2-[4-(3-fluorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-4-methylphenol?
2-[4-(3-fluorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-4-methylphenol has a molecular weight of 336.41 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-4-methylphenol is sourced from PubChem (CID 137306873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).