2-[2-hydroxyethyl-[[4-(phenylsulfanylmethyl)phenyl]methyl]amino]ethanol

C18H23NO2S — CID 71676990

IUPAC2-[2-hydroxyethyl-[[4-(phenylsulfanylmethyl)phenyl]methyl]amino]ethanol
SMILESOCCN(CCO)Cc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C18H23NO2S/c20-12-10-19(11-13-21)14-16-6-8-17(9-7-16)15-22-18-4-2-1-3-5-18/h1-9,20-21H,10-15H2
InChIKeyBQEZOFVOTITVFG-UHFFFAOYSA-N
MW317.45 g/mol
LogP2.77
Rot. Bonds9

About 2-[2-hydroxyethyl-[[4-(phenylsulfanylmethyl)phenyl]methyl]amino]ethanol

2-[2-hydroxyethyl-[[4-(phenylsulfanylmethyl)phenyl]methyl]amino]ethanol (PubChem CID 71676990) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[[4-(phenylsulfanylmethyl)phenyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[[4-(phenylsulfanylmethyl)phenyl]methyl]amino]ethanol
PubChem CID71676990
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name2-[2-hydroxyethyl-[[4-(phenylsulfanylmethyl)phenyl]methyl]amino]ethanol
SMILESOCCN(CCO)Cc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C18H23NO2S/c20-12-10-19(11-13-21)14-16-6-8-17(9-7-16)15-22-18-4-2-1-3-5-18/h1-9,20-21H,10-15H2
InChIKeyBQEZOFVOTITVFG-UHFFFAOYSA-N
XLogP2.77
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-hydroxyethyl-[[4-(phenylsulfanylmethyl)phenyl]methyl]amino]ethanol 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

[4-(phenylsulfanylmethyl)phenyl]methanol
CID 59255239
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
CID 2845478
3-(4-benzylsulfanylphenyl)propan-1-ol
CID 156821984
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol
CID 158603014
2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol
CID 86942997
2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 784350
2-[benzyl(nonyl)amino]ethanol
CID 63469962
2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol
CID 62021239

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[[4-(phenylsulfanylmethyl)phenyl]methyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[[4-(phenylsulfanylmethyl)phenyl]methyl]amino]ethanol (CID 71676990) is 2-[2-hydroxyethyl-[[4-(phenylsulfanylmethyl)phenyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[[4-(phenylsulfanylmethyl)phenyl]methyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[[4-(phenylsulfanylmethyl)phenyl]methyl]amino]ethanol is OCCN(CCO)Cc1ccc(CSc2ccccc2)cc1.
What is the InChIKey of 2-[2-hydroxyethyl-[[4-(phenylsulfanylmethyl)phenyl]methyl]amino]ethanol?
The InChIKey is BQEZOFVOTITVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c20-12-10-19(11-13-21)14-16-6-8-17(9-7-16)15-22-18-4-2-1-3-5-18/h1-9,20-21H,10-15H2.
What are the key properties of 2-[2-hydroxyethyl-[[4-(phenylsulfanylmethyl)phenyl]methyl]amino]ethanol?
2-[2-hydroxyethyl-[[4-(phenylsulfanylmethyl)phenyl]methyl]amino]ethanol has a molecular weight of 317.45 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[[4-(phenylsulfanylmethyl)phenyl]methyl]amino]ethanol is sourced from PubChem (CID 71676990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).