[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine

C11H14F3NO3S — CID 63319742

IUPAC[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine
SMILESCS(=O)(=O)CCOc1ccc(CN)cc1C(F)(F)F
InChIInChI=1S/C11H14F3NO3S/c1-19(16,17)5-4-18-10-3-2-8(7-15)6-9(10)11(12,13)14/h2-3,6H,4-5,7,15H2,1H3
InChIKeyUVXHGNAVNRKJOK-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.59
Rot. Bonds5

About [4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine

[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 63319742) has the molecular formula C11H14F3NO3S and a molecular weight of 297.30 g/mol. Its IUPAC name is [4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine
PubChem CID63319742
Molecular FormulaC11H14F3NO3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC Name[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine
SMILESCS(=O)(=O)CCOc1ccc(CN)cc1C(F)(F)F
InChIInChI=1S/C11H14F3NO3S/c1-19(16,17)5-4-18-10-3-2-8(7-15)6-9(10)11(12,13)14/h2-3,6H,4-5,7,15H2,1H3
InChIKeyUVXHGNAVNRKJOK-UHFFFAOYSA-N
XLogP1.59
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320226
1-[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
CID 63320553
[4-(3-ethoxypropoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 65175971
4-(2-ethylsulfonylethoxy)-3-(trifluoromethyl)aniline
CID 61389495
4-(3-methylsulfonylpropoxy)-3-(trifluoromethyl)benzonitrile
CID 115467864
N-methoxy-N-methyl-4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)benzamide
CID 171484135
2-[4-butoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 55205104
[4-pyrimidin-2-yloxy-3-(trifluoromethyl)phenyl]methanamine
CID 115468310
4-(bromomethyl)-2-fluoro-1-(2-methylsulfonylethoxy)benzene
CID 107691591
[4-[(5-methoxy-2-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]methanamine
CID 106504792
methyl 3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanoate
CID 63949541
[4-(2-tert-butylsulfonylethoxy)-3-ethoxyphenyl]methanamine
CID 106721561

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine (CID 63319742) is [4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine is CS(=O)(=O)CCOc1ccc(CN)cc1C(F)(F)F.
What is the InChIKey of [4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is UVXHGNAVNRKJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S/c1-19(16,17)5-4-18-10-3-2-8(7-15)6-9(10)11(12,13)14/h2-3,6H,4-5,7,15H2,1H3.
What are the key properties of [4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine?
[4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 297.30 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylsulfonylethoxy)-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 63319742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).