2-[2,5-dimethoxy-4-(1,1,3-trifluoropropylsulfonyl)phenyl]ethanamine

C13H18F3NO4S — CID 171534516

IUPAC2-[2,5-dimethoxy-4-(1,1,3-trifluoropropylsulfonyl)phenyl]ethanamine
SMILESCOc1cc(S(=O)(=O)C(F)(F)CCF)c(OC)cc1CCN
InChIInChI=1S/C13H18F3NO4S/c1-20-10-8-12(11(21-2)7-9(10)3-6-17)22(18,19)13(15,16)4-5-14/h7-8H,3-6,17H2,1-2H3
InChIKeyKJHWVIGXLGQDEA-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.93
Rot. Bonds8

About 2-[2,5-dimethoxy-4-(1,1,3-trifluoropropylsulfonyl)phenyl]ethanamine

2-[2,5-dimethoxy-4-(1,1,3-trifluoropropylsulfonyl)phenyl]ethanamine (PubChem CID 171534516) has the molecular formula C13H18F3NO4S and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-[2,5-dimethoxy-4-(1,1,3-trifluoropropylsulfonyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2,5-dimethoxy-4-(1,1,3-trifluoropropylsulfonyl)phenyl]ethanamine
PubChem CID171534516
Molecular FormulaC13H18F3NO4S
Molecular Weight341.35 g/mol
Exact Mass341.09
IUPAC Name2-[2,5-dimethoxy-4-(1,1,3-trifluoropropylsulfonyl)phenyl]ethanamine
SMILESCOc1cc(S(=O)(=O)C(F)(F)CCF)c(OC)cc1CCN
InChIInChI=1S/C13H18F3NO4S/c1-20-10-8-12(11(21-2)7-9(10)3-6-17)22(18,19)13(15,16)4-5-14/h7-8H,3-6,17H2,1-2H3
InChIKeyKJHWVIGXLGQDEA-UHFFFAOYSA-N
XLogP1.93
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2,5-dimethoxy-4-(1,1,3-trifluoropropylsulfonyl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1,1-difluorohexylsulfonyl)-2,5-dimethoxyphenyl]ethanamine
CID 171534666
2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,5-dimethoxyphenyl]ethanamine
CID 169149363
2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine
CID 57498513
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
4-(2,5-dimethoxy-4-methylsulfonylphenyl)butan-1-amine
CID 117463945
2-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfinyl)-2,5-dimethoxyphenyl]ethanamine
CID 171534504
2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine
CID 83881713
2,2-dimethyl-4-(2,4,5-trimethoxyphenyl)butan-1-amine
CID 116925195
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
4-(2-aminoethyl)-N,N-bis(2-fluoroethyl)-2,5-dimethoxyaniline
CID 171534600
2-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylselanyl)-2,5-dimethoxyphenyl]ethanamine
CID 171534553
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethoxy-4-(1,1,3-trifluoropropylsulfonyl)phenyl]ethanamine?
The IUPAC name of 2-[2,5-dimethoxy-4-(1,1,3-trifluoropropylsulfonyl)phenyl]ethanamine (CID 171534516) is 2-[2,5-dimethoxy-4-(1,1,3-trifluoropropylsulfonyl)phenyl]ethanamine.
What is the SMILES notation for 2-[2,5-dimethoxy-4-(1,1,3-trifluoropropylsulfonyl)phenyl]ethanamine?
The canonical SMILES for 2-[2,5-dimethoxy-4-(1,1,3-trifluoropropylsulfonyl)phenyl]ethanamine is COc1cc(S(=O)(=O)C(F)(F)CCF)c(OC)cc1CCN.
What is the InChIKey of 2-[2,5-dimethoxy-4-(1,1,3-trifluoropropylsulfonyl)phenyl]ethanamine?
The InChIKey is KJHWVIGXLGQDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO4S/c1-20-10-8-12(11(21-2)7-9(10)3-6-17)22(18,19)13(15,16)4-5-14/h7-8H,3-6,17H2,1-2H3.
What are the key properties of 2-[2,5-dimethoxy-4-(1,1,3-trifluoropropylsulfonyl)phenyl]ethanamine?
2-[2,5-dimethoxy-4-(1,1,3-trifluoropropylsulfonyl)phenyl]ethanamine has a molecular weight of 341.35 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethoxy-4-(1,1,3-trifluoropropylsulfonyl)phenyl]ethanamine is sourced from PubChem (CID 171534516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).