1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine

C17H19F2NO2S — CID 122135317

IUPAC1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine
SMILESCCS(=O)(=O)c1ccc(CNC(C)c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H19F2NO2S/c1-3-23(21,22)15-7-4-13(5-8-15)11-20-12(2)16-9-6-14(18)10-17(16)19/h4-10,12,20H,3,11H2,1-2H3
InChIKeyMMZLSBVXUDAJDE-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.61
Rot. Bonds6

About 1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine

1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine (PubChem CID 122135317) has the molecular formula C17H19F2NO2S and a molecular weight of 339.41 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine
PubChem CID122135317
Molecular FormulaC17H19F2NO2S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC Name1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine
SMILESCCS(=O)(=O)c1ccc(CNC(C)c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H19F2NO2S/c1-3-23(21,22)15-7-4-13(5-8-15)11-20-12(2)16-9-6-14(18)10-17(16)19/h4-10,12,20H,3,11H2,1-2H3
InChIKeyMMZLSBVXUDAJDE-UHFFFAOYSA-N
XLogP3.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]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

1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43221741
4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol
CID 107715500
(1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine
CID 129398374
1-[(4-ethylsulfonylphenyl)methylamino]ethanol
CID 175910689
2,6-dibromo-4-[[1-(2,4-difluorophenyl)ethylamino]methyl]phenol
CID 103602836
N-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 51169578
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 32676505
N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41145925
1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43224040
4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline
CID 43453369
methyl 3-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]benzoate
CID 124572671
1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
CID 43804303

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine (CID 122135317) is 1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine is CCS(=O)(=O)c1ccc(CNC(C)c2ccc(F)cc2F)cc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine?
The InChIKey is MMZLSBVXUDAJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO2S/c1-3-23(21,22)15-7-4-13(5-8-15)11-20-12(2)16-9-6-14(18)10-17(16)19/h4-10,12,20H,3,11H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine?
1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine has a molecular weight of 339.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine is sourced from PubChem (CID 122135317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).