4-(2-amino-2-methylpropyl)-3-fluoro-2-methylsulfonylphenol

C11H16FNO3S — CID 117407301

IUPAC4-(2-amino-2-methylpropyl)-3-fluoro-2-methylsulfonylphenol
SMILESCC(C)(N)Cc1ccc(O)c(S(C)(=O)=O)c1F
InChIInChI=1S/C11H16FNO3S/c1-11(2,13)6-7-4-5-8(14)10(9(7)12)17(3,15)16/h4-5,14H,6,13H2,1-3H3
InChIKeyNSQNDYMDFYFEGE-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.21
Rot. Bonds3

About 4-(2-amino-2-methylpropyl)-3-fluoro-2-methylsulfonylphenol

4-(2-amino-2-methylpropyl)-3-fluoro-2-methylsulfonylphenol (PubChem CID 117407301) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropyl)-3-fluoro-2-methylsulfonylphenol.

Molecular Properties

Compound Name4-(2-amino-2-methylpropyl)-3-fluoro-2-methylsulfonylphenol
PubChem CID117407301
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name4-(2-amino-2-methylpropyl)-3-fluoro-2-methylsulfonylphenol
SMILESCC(C)(N)Cc1ccc(O)c(S(C)(=O)=O)c1F
InChIInChI=1S/C11H16FNO3S/c1-11(2,13)6-7-4-5-8(14)10(9(7)12)17(3,15)16/h4-5,14H,6,13H2,1-3H3
InChIKeyNSQNDYMDFYFEGE-UHFFFAOYSA-N
XLogP1.21
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Pent-2-en-3-yl-2-(trifluoromethylsulfonyl)phenol
CID 91365835
4-(1-Aminoethyl)-3-fluoro-2-methylsulfanylphenol
CID 117290125
4-(2-Aminoethyl)-3-fluoro-2-methylsulfanylphenol
CID 117290126
4-(1-Aminocyclopropyl)-3-fluoro-2-methylsulfanylphenol
CID 117304290
4-(2-Aminopropyl)-3-fluoro-2-methylsulfanylphenol
CID 117306948
4-(3-Aminopropyl)-3-fluoro-2-methylsulfanylphenol
CID 117306952
4-(1-Aminopropan-2-yl)-3-fluoro-2-methylsulfanylphenol
CID 117306953
4-(2-Aminopropan-2-yl)-3-fluoro-2-methylsulfanylphenol
CID 117306956
3-Fluoro-4-[2-(methylamino)ethyl]-2-methylsulfanylphenol
CID 117306957
4-(2-Amino-1-hydroxyethyl)-3-fluoro-2-methylsulfanylphenol
CID 117309252
4-(Aminomethyl)-3-fluoro-2-methylsulfonylphenol
CID 117311901
4-[(1-Aminocyclopropyl)methyl]-3-fluoro-2-methylsulfanylphenol
CID 117327320

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropyl)-3-fluoro-2-methylsulfonylphenol?
The IUPAC name of 4-(2-amino-2-methylpropyl)-3-fluoro-2-methylsulfonylphenol (CID 117407301) is 4-(2-amino-2-methylpropyl)-3-fluoro-2-methylsulfonylphenol.
What is the SMILES notation for 4-(2-amino-2-methylpropyl)-3-fluoro-2-methylsulfonylphenol?
The canonical SMILES for 4-(2-amino-2-methylpropyl)-3-fluoro-2-methylsulfonylphenol is CC(C)(N)Cc1ccc(O)c(S(C)(=O)=O)c1F.
What is the InChIKey of 4-(2-amino-2-methylpropyl)-3-fluoro-2-methylsulfonylphenol?
The InChIKey is NSQNDYMDFYFEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-11(2,13)6-7-4-5-8(14)10(9(7)12)17(3,15)16/h4-5,14H,6,13H2,1-3H3.
What are the key properties of 4-(2-amino-2-methylpropyl)-3-fluoro-2-methylsulfonylphenol?
4-(2-amino-2-methylpropyl)-3-fluoro-2-methylsulfonylphenol has a molecular weight of 261.32 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropyl)-3-fluoro-2-methylsulfonylphenol is sourced from PubChem (CID 117407301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).