1-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpropan-2-amine

C11H15F2NO2S — CID 117412591

IUPAC1-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(F)c(S(C)(=O)=O)cc1F
InChIInChI=1S/C11H15F2NO2S/c1-11(2,14)6-7-4-9(13)10(5-8(7)12)17(3,15)16/h4-5H,6,14H2,1-3H3
InChIKeyVDGHMDNBGOOHBF-UHFFFAOYSA-N
MW263.31 g/mol
LogP1.65
Rot. Bonds3

About 1-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpropan-2-amine

1-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpropan-2-amine (PubChem CID 117412591) has the molecular formula C11H15F2NO2S and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpropan-2-amine
PubChem CID117412591
Molecular FormulaC11H15F2NO2S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name1-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc(F)c(S(C)(=O)=O)cc1F
InChIInChI=1S/C11H15F2NO2S/c1-11(2,14)6-7-4-9(13)10(5-8(7)12)17(3,15)16/h4-5H,6,14H2,1-3H3
InChIKeyVDGHMDNBGOOHBF-UHFFFAOYSA-N
XLogP1.65
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluoro-4-methylsulfonylphenyl)ethanamine
CID 117341939
N-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]hydroxylamine
CID 117346067
1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 82648003
1-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol
CID 117409978
6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol
CID 117407300
4-fluoro-2-(2-hydroxyethyl)-5-methylsulfonylphenol
CID 117340042
4-(2-amino-2-methylpropyl)-3-fluoro-2-methylsulfonylphenol
CID 117407301
1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-amine
CID 62622009
2-(2-amino-2-methylpropyl)-4,5-difluoro-N,N-dimethylaniline
CID 117112029
2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol
CID 117287292
1-[3,4-bis(methylsulfonyl)phenyl]-2-methylpropan-2-amine
CID 117490792
1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
CID 84810981

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpropan-2-amine (CID 117412591) is 1-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpropan-2-amine is CC(C)(N)Cc1cc(F)c(S(C)(=O)=O)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpropan-2-amine?
The InChIKey is VDGHMDNBGOOHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2S/c1-11(2,14)6-7-4-9(13)10(5-8(7)12)17(3,15)16/h4-5H,6,14H2,1-3H3.
What are the key properties of 1-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpropan-2-amine?
1-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpropan-2-amine has a molecular weight of 263.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117412591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).