2-methyl-1-[2-(trifluoromethylsulfonyl)phenoxy]propan-2-amine

C11H14F3NO3S — CID 64538786

IUPAC2-methyl-1-[2-(trifluoromethylsulfonyl)phenoxy]propan-2-amine
SMILESCC(C)(N)COc1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H14F3NO3S/c1-10(2,15)7-18-8-5-3-4-6-9(8)19(16,17)11(12,13)14/h3-6H,7,15H2,1-2H3
InChIKeyMYLWUJHFBQGECQ-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.10
Rot. Bonds4

About 2-methyl-1-[2-(trifluoromethylsulfonyl)phenoxy]propan-2-amine

2-methyl-1-[2-(trifluoromethylsulfonyl)phenoxy]propan-2-amine (PubChem CID 64538786) has the molecular formula C11H14F3NO3S and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-methyl-1-[2-(trifluoromethylsulfonyl)phenoxy]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[2-(trifluoromethylsulfonyl)phenoxy]propan-2-amine
PubChem CID64538786
Molecular FormulaC11H14F3NO3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC Name2-methyl-1-[2-(trifluoromethylsulfonyl)phenoxy]propan-2-amine
SMILESCC(C)(N)COc1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H14F3NO3S/c1-10(2,15)7-18-8-5-3-4-6-9(8)19(16,17)11(12,13)14/h3-6H,7,15H2,1-2H3
InChIKeyMYLWUJHFBQGECQ-UHFFFAOYSA-N
XLogP2.10
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(trifluoromethylsulfonyl)phenoxy]propan-2-amine?
The IUPAC name of 2-methyl-1-[2-(trifluoromethylsulfonyl)phenoxy]propan-2-amine (CID 64538786) is 2-methyl-1-[2-(trifluoromethylsulfonyl)phenoxy]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[2-(trifluoromethylsulfonyl)phenoxy]propan-2-amine?
The canonical SMILES for 2-methyl-1-[2-(trifluoromethylsulfonyl)phenoxy]propan-2-amine is CC(C)(N)COc1ccccc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-methyl-1-[2-(trifluoromethylsulfonyl)phenoxy]propan-2-amine?
The InChIKey is MYLWUJHFBQGECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S/c1-10(2,15)7-18-8-5-3-4-6-9(8)19(16,17)11(12,13)14/h3-6H,7,15H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(trifluoromethylsulfonyl)phenoxy]propan-2-amine?
2-methyl-1-[2-(trifluoromethylsulfonyl)phenoxy]propan-2-amine has a molecular weight of 297.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(trifluoromethylsulfonyl)phenoxy]propan-2-amine is sourced from PubChem (CID 64538786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).