2-(1,1,2-triphenylethylsulfanyl)ethanamine

C22H23NS — CID 66572336

IUPAC2-(1,1,2-triphenylethylsulfanyl)ethanamine
SMILESNCCSC(Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NS/c23-16-17-24-22(20-12-6-2-7-13-20,21-14-8-3-9-15-21)18-19-10-4-1-5-11-19/h1-15H,16-18,23H2
InChIKeyRXLUEXNYUSGGGM-UHFFFAOYSA-N
MW333.50 g/mol
LogP4.86
Rot. Bonds7

About 2-(1,1,2-triphenylethylsulfanyl)ethanamine

2-(1,1,2-triphenylethylsulfanyl)ethanamine (PubChem CID 66572336) has the molecular formula C22H23NS and a molecular weight of 333.50 g/mol. Its IUPAC name is 2-(1,1,2-triphenylethylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(1,1,2-triphenylethylsulfanyl)ethanamine
PubChem CID66572336
Molecular FormulaC22H23NS
Molecular Weight333.50 g/mol
Exact Mass333.16
IUPAC Name2-(1,1,2-triphenylethylsulfanyl)ethanamine
SMILESNCCSC(Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NS/c23-16-17-24-22(20-12-6-2-7-13-20,21-14-8-3-9-15-21)18-19-10-4-1-5-11-19/h1-15H,16-18,23H2
InChIKeyRXLUEXNYUSGGGM-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1,1,2-triphenylethylsulfanyl)ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2-triphenylethylsulfanyl)ethanamine?
The IUPAC name of 2-(1,1,2-triphenylethylsulfanyl)ethanamine (CID 66572336) is 2-(1,1,2-triphenylethylsulfanyl)ethanamine.
What is the SMILES notation for 2-(1,1,2-triphenylethylsulfanyl)ethanamine?
The canonical SMILES for 2-(1,1,2-triphenylethylsulfanyl)ethanamine is NCCSC(Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1,1,2-triphenylethylsulfanyl)ethanamine?
The InChIKey is RXLUEXNYUSGGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NS/c23-16-17-24-22(20-12-6-2-7-13-20,21-14-8-3-9-15-21)18-19-10-4-1-5-11-19/h1-15H,16-18,23H2.
What are the key properties of 2-(1,1,2-triphenylethylsulfanyl)ethanamine?
2-(1,1,2-triphenylethylsulfanyl)ethanamine has a molecular weight of 333.50 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2-triphenylethylsulfanyl)ethanamine is sourced from PubChem (CID 66572336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).