4-[1-(2-aminoethylsulfanyl)-1,2-diphenylethyl]phenol

C22H23NOS — CID 66572344

IUPAC4-[1-(2-aminoethylsulfanyl)-1,2-diphenylethyl]phenol
SMILESNCCSC(Cc1ccccc1)(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C22H23NOS/c23-15-16-25-22(19-9-5-2-6-10-19,17-18-7-3-1-4-8-18)20-11-13-21(24)14-12-20/h1-14,24H,15-17,23H2
InChIKeyCFENRMXBRFSGKL-UHFFFAOYSA-N
MW349.50 g/mol
LogP4.57
Rot. Bonds7

About 4-[1-(2-aminoethylsulfanyl)-1,2-diphenylethyl]phenol

4-[1-(2-aminoethylsulfanyl)-1,2-diphenylethyl]phenol (PubChem CID 66572344) has the molecular formula C22H23NOS and a molecular weight of 349.50 g/mol. Its IUPAC name is 4-[1-(2-aminoethylsulfanyl)-1,2-diphenylethyl]phenol.

Molecular Properties

Compound Name4-[1-(2-aminoethylsulfanyl)-1,2-diphenylethyl]phenol
PubChem CID66572344
Molecular FormulaC22H23NOS
Molecular Weight349.50 g/mol
Exact Mass349.15
IUPAC Name4-[1-(2-aminoethylsulfanyl)-1,2-diphenylethyl]phenol
SMILESNCCSC(Cc1ccccc1)(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C22H23NOS/c23-15-16-25-22(19-9-5-2-6-10-19,17-18-7-3-1-4-8-18)20-11-13-21(24)14-12-20/h1-14,24H,15-17,23H2
InChIKeyCFENRMXBRFSGKL-UHFFFAOYSA-N
XLogP4.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-aminoethylsulfanyl)-1,2-diphenylethyl]phenol?
The IUPAC name of 4-[1-(2-aminoethylsulfanyl)-1,2-diphenylethyl]phenol (CID 66572344) is 4-[1-(2-aminoethylsulfanyl)-1,2-diphenylethyl]phenol.
What is the SMILES notation for 4-[1-(2-aminoethylsulfanyl)-1,2-diphenylethyl]phenol?
The canonical SMILES for 4-[1-(2-aminoethylsulfanyl)-1,2-diphenylethyl]phenol is NCCSC(Cc1ccccc1)(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(2-aminoethylsulfanyl)-1,2-diphenylethyl]phenol?
The InChIKey is CFENRMXBRFSGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NOS/c23-15-16-25-22(19-9-5-2-6-10-19,17-18-7-3-1-4-8-18)20-11-13-21(24)14-12-20/h1-14,24H,15-17,23H2.
What are the key properties of 4-[1-(2-aminoethylsulfanyl)-1,2-diphenylethyl]phenol?
4-[1-(2-aminoethylsulfanyl)-1,2-diphenylethyl]phenol has a molecular weight of 349.50 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-aminoethylsulfanyl)-1,2-diphenylethyl]phenol is sourced from PubChem (CID 66572344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).