2-(4-ethylsulfonylphenyl)-1-phenylethanamine

C16H19NO2S — CID 63197025

IUPAC2-(4-ethylsulfonylphenyl)-1-phenylethanamine
SMILESCCS(=O)(=O)c1ccc(CC(N)c2ccccc2)cc1
InChIInChI=1S/C16H19NO2S/c1-2-20(18,19)15-10-8-13(9-11-15)12-16(17)14-6-4-3-5-7-14/h3-11,16H,2,12,17H2,1H3
InChIKeyZTPWAJPTSFOQLX-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.72
Rot. Bonds5

About 2-(4-ethylsulfonylphenyl)-1-phenylethanamine

2-(4-ethylsulfonylphenyl)-1-phenylethanamine (PubChem CID 63197025) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-1-phenylethanamine
PubChem CID63197025
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-(4-ethylsulfonylphenyl)-1-phenylethanamine
SMILESCCS(=O)(=O)c1ccc(CC(N)c2ccccc2)cc1
InChIInChI=1S/C16H19NO2S/c1-2-20(18,19)15-10-8-13(9-11-15)12-16(17)14-6-4-3-5-7-14/h3-11,16H,2,12,17H2,1H3
InChIKeyZTPWAJPTSFOQLX-UHFFFAOYSA-N
XLogP2.72
TPSA60.16 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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-amino-2-phenylethyl)phenyl]acetamide
CID 62719671
1-[(R)-bromo(phenyl)methyl]-4-ethylsulfonylbenzene
CID 93484609
2-phenyl-1-(4-propylphenyl)ethanamine
CID 43100730
2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052629
3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride
CID 166644481
amino-(4-ethylsulfonylphenyl)methanol
CID 116939662
1-phenyl-2-pyridin-4-ylethanamine
CID 10465342
amino-(4-ethylsulfonylphenyl)methanethiol
CID 116939510
2-(4-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115788166
[3-(2-amino-2-phenylethyl)phenyl] methanesulfonate
CID 25032930
[3-amino-3-(4-ethylsulfonylphenyl)propyl]-methylcarbamic acid
CID 175154396
4-ethylsulfonyl-N-phenylbenzenesulfonamide
CID 87026098

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-1-phenylethanamine?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-1-phenylethanamine (CID 63197025) is 2-(4-ethylsulfonylphenyl)-1-phenylethanamine.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-1-phenylethanamine?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-1-phenylethanamine is CCS(=O)(=O)c1ccc(CC(N)c2ccccc2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-1-phenylethanamine?
The InChIKey is ZTPWAJPTSFOQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-2-20(18,19)15-10-8-13(9-11-15)12-16(17)14-6-4-3-5-7-14/h3-11,16H,2,12,17H2,1H3.
What are the key properties of 2-(4-ethylsulfonylphenyl)-1-phenylethanamine?
2-(4-ethylsulfonylphenyl)-1-phenylethanamine has a molecular weight of 289.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-1-phenylethanamine is sourced from PubChem (CID 63197025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).