[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]methanol

C13H20FNO — CID 63964637

IUPAC[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]methanol
SMILESCCC(C)(C)N(C)c1ccc(F)cc1CO
InChIInChI=1S/C13H20FNO/c1-5-13(2,3)15(4)12-7-6-11(14)8-10(12)9-16/h6-8,16H,5,9H2,1-4H3
InChIKeyIQTROHANCIPYLF-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.94
Rot. Bonds4

About [5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]methanol

[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]methanol (PubChem CID 63964637) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is [5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]methanol
PubChem CID63964637
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]methanol
SMILESCCC(C)(C)N(C)c1ccc(F)cc1CO
InChIInChI=1S/C13H20FNO/c1-5-13(2,3)15(4)12-7-6-11(14)8-10(12)9-16/h6-8,16H,5,9H2,1-4H3
InChIKeyIQTROHANCIPYLF-UHFFFAOYSA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 63981611
(1S)-1-[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]ethanol
CID 63966843
[5-fluoro-2-(N-methylanilino)phenyl]methanol
CID 43313086
4-fluoro-N-methyl-N-(2-methylbutan-2-yl)-2-[1-(propylamino)ethyl]aniline
CID 63982799
2-[4-fluoro-2-(hydroxymethyl)-N-methylanilino]-N,N-dimethylacetamide
CID 43375135
[2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol
CID 55004619
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 63964432
2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 75430590
[2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol
CID 61446000
2-[2-(dimethylamino)-5-fluorophenyl]ethanol
CID 55266724
[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol
CID 61426736
[2-[ethyl(pyridin-4-ylmethyl)amino]-5-fluorophenyl]methanol
CID 61448819

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]methanol?
The IUPAC name of [5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]methanol (CID 63964637) is [5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]methanol.
What is the SMILES notation for [5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]methanol?
The canonical SMILES for [5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]methanol is CCC(C)(C)N(C)c1ccc(F)cc1CO.
What is the InChIKey of [5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]methanol?
The InChIKey is IQTROHANCIPYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-5-13(2,3)15(4)12-7-6-11(14)8-10(12)9-16/h6-8,16H,5,9H2,1-4H3.
What are the key properties of [5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]methanol?
[5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]methanol has a molecular weight of 225.31 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[methyl(2-methylbutan-2-yl)amino]phenyl]methanol is sourced from PubChem (CID 63964637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).