4-(5-fluoro-2-methylanilino)-2-methylbutan-2-ol

C12H18FNO — CID 79359581

IUPAC4-(5-fluoro-2-methylanilino)-2-methylbutan-2-ol
SMILESCc1ccc(F)cc1NCCC(C)(C)O
InChIInChI=1S/C12H18FNO/c1-9-4-5-10(13)8-11(9)14-7-6-12(2,3)15/h4-5,8,14-15H,6-7H2,1-3H3
InChIKeyNFYWGVKGJFAPLS-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.71
Rot. Bonds4

About 4-(5-fluoro-2-methylanilino)-2-methylbutan-2-ol

4-(5-fluoro-2-methylanilino)-2-methylbutan-2-ol (PubChem CID 79359581) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(5-fluoro-2-methylanilino)-2-methylbutan-2-ol
PubChem CID79359581
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name4-(5-fluoro-2-methylanilino)-2-methylbutan-2-ol
SMILESCc1ccc(F)cc1NCCC(C)(C)O
InChIInChI=1S/C12H18FNO/c1-9-4-5-10(13)8-11(9)14-7-6-12(2,3)15/h4-5,8,14-15H,6-7H2,1-3H3
InChIKeyNFYWGVKGJFAPLS-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromo-5-fluoroanilino)-2-methylbutan-2-ol
CID 104952393
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CID 60679321
4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932344
4-(3,5-dimethylanilino)-2-methylbutan-2-ol
CID 79359580
2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60652978
4-[(5-fluoro-2-methylanilino)methyl]piperidin-4-ol
CID 126846923
2-(5-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 9099732
4-[(5-fluoro-2-methylanilino)methyl]benzene-1,2,3-triol
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4-(4-fluoro-2-methylanilino)-2,2-dimethylbutanenitrile
CID 65248851

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylanilino)-2-methylbutan-2-ol?
The IUPAC name of 4-(5-fluoro-2-methylanilino)-2-methylbutan-2-ol (CID 79359581) is 4-(5-fluoro-2-methylanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(5-fluoro-2-methylanilino)-2-methylbutan-2-ol?
The canonical SMILES for 4-(5-fluoro-2-methylanilino)-2-methylbutan-2-ol is Cc1ccc(F)cc1NCCC(C)(C)O.
What is the InChIKey of 4-(5-fluoro-2-methylanilino)-2-methylbutan-2-ol?
The InChIKey is NFYWGVKGJFAPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9-4-5-10(13)8-11(9)14-7-6-12(2,3)15/h4-5,8,14-15H,6-7H2,1-3H3.
What are the key properties of 4-(5-fluoro-2-methylanilino)-2-methylbutan-2-ol?
4-(5-fluoro-2-methylanilino)-2-methylbutan-2-ol has a molecular weight of 211.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 79359581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).