2-(3-fluoro-5-methylanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol

C16H18F2N2O — CID 115940894

IUPAC2-(3-fluoro-5-methylanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol
SMILESCCC(CO)(Nc1cc(C)cc(F)c1)c1ccc(F)cn1
InChIInChI=1S/C16H18F2N2O/c1-3-16(10-21,15-5-4-12(17)9-19-15)20-14-7-11(2)6-13(18)8-14/h4-9,20-21H,3,10H2,1-2H3
InChIKeyYATQWUMDAJOWBE-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.38
Rot. Bonds5

About 2-(3-fluoro-5-methylanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol

2-(3-fluoro-5-methylanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol (PubChem CID 115940894) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name2-(3-fluoro-5-methylanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol
PubChem CID115940894
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-(3-fluoro-5-methylanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol
SMILESCCC(CO)(Nc1cc(C)cc(F)c1)c1ccc(F)cn1
InChIInChI=1S/C16H18F2N2O/c1-3-16(10-21,15-5-4-12(17)9-19-15)20-14-7-11(2)6-13(18)8-14/h4-9,20-21H,3,10H2,1-2H3
InChIKeyYATQWUMDAJOWBE-UHFFFAOYSA-N
XLogP3.38
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoroanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol
CID 115940892
2-(5-fluoro-2-pyridinyl)-2-(2-methoxyanilino)butan-1-ol
CID 115940889
2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)butan-1-ol
CID 79046383
1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585875
2-(3-fluoro-5-methylanilino)-2-pyridin-2-ylpropan-1-ol
CID 79047415
methyl 3-(5-fluoro-2-pyridinyl)-3-(methylamino)pentanoate
CID 112586720
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol
CID 112586602
2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol
CID 112585862
2-(3-fluoroanilino)-2-phenylbutan-1-ol
CID 61048101
1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 115940685
1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585936

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol?
The IUPAC name of 2-(3-fluoro-5-methylanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol (CID 115940894) is 2-(3-fluoro-5-methylanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol.
What is the SMILES notation for 2-(3-fluoro-5-methylanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol?
The canonical SMILES for 2-(3-fluoro-5-methylanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol is CCC(CO)(Nc1cc(C)cc(F)c1)c1ccc(F)cn1.
What is the InChIKey of 2-(3-fluoro-5-methylanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol?
The InChIKey is YATQWUMDAJOWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-3-16(10-21,15-5-4-12(17)9-19-15)20-14-7-11(2)6-13(18)8-14/h4-9,20-21H,3,10H2,1-2H3.
What are the key properties of 2-(3-fluoro-5-methylanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol?
2-(3-fluoro-5-methylanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol has a molecular weight of 292.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol is sourced from PubChem (CID 115940894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).