N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine

C16H19NO2S — CID 63199908

IUPACN-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine
SMILESCNC(Cc1ccc(S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C16H19NO2S/c1-17-16(14-6-4-3-5-7-14)12-13-8-10-15(11-9-13)20(2,18)19/h3-11,16-17H,12H2,1-2H3
InChIKeyYZJZPVUIVFXKTL-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.59
Rot. Bonds5

About N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine

N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine (PubChem CID 63199908) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine
PubChem CID63199908
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine
SMILESCNC(Cc1ccc(S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C16H19NO2S/c1-17-16(14-6-4-3-5-7-14)12-13-8-10-15(11-9-13)20(2,18)19/h3-11,16-17H,12H2,1-2H3
InChIKeyYZJZPVUIVFXKTL-UHFFFAOYSA-N
XLogP2.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-methylsulfonylphenyl)-2-phenylethyl]hydrazine
CID 105283057
2-(4-iodophenyl)-N-methyl-1-phenylethanamine
CID 65479327
2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 105029850
1-(4-methylsulfonylphenyl)-2-phenylethanol
CID 19073233
3-(methylamino)-3-(4-methylsulfonylphenyl)propane-1-thiol
CID 116831435
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)sulfonyl-2-phenylpropanamide
CID 110166005
2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
CID 64640001
[1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine
CID 105283041
N-methyl-1-phenyl-2-(4-pyridin-2-ylphenyl)ethanamine
CID 82540649
1-[(4-methylsulfonylphenyl)methylamino]-3-phenylpropan-2-ol
CID 23060817
2-(4-methylsulfonylphenyl)-2-phenylethanol
CID 67638441
2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 105036188

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine?
The IUPAC name of N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine (CID 63199908) is N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine.
What is the SMILES notation for N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine?
The canonical SMILES for N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine is CNC(Cc1ccc(S(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine?
The InChIKey is YZJZPVUIVFXKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-17-16(14-6-4-3-5-7-14)12-13-8-10-15(11-9-13)20(2,18)19/h3-11,16-17H,12H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine?
N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine has a molecular weight of 289.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine is sourced from PubChem (CID 63199908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).