4-(2-aminophenyl)sulfanyl-3-[(dimethylamino)methyl]phenol

C15H18N2OS — CID 24750423

IUPAC4-(2-aminophenyl)sulfanyl-3-[(dimethylamino)methyl]phenol
SMILESCN(C)Cc1cc(O)ccc1Sc1ccccc1N
InChIInChI=1S/C15H18N2OS/c1-17(2)10-11-9-12(18)7-8-14(11)19-15-6-4-3-5-13(15)16/h3-9,18H,10,16H2,1-2H3
InChIKeyWTZRMYOBIYKNQJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.19
Rot. Bonds4

About 4-(2-aminophenyl)sulfanyl-3-[(dimethylamino)methyl]phenol

4-(2-aminophenyl)sulfanyl-3-[(dimethylamino)methyl]phenol (PubChem CID 24750423) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-(2-aminophenyl)sulfanyl-3-[(dimethylamino)methyl]phenol.

Molecular Properties

Compound Name4-(2-aminophenyl)sulfanyl-3-[(dimethylamino)methyl]phenol
PubChem CID24750423
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-(2-aminophenyl)sulfanyl-3-[(dimethylamino)methyl]phenol
SMILESCN(C)Cc1cc(O)ccc1Sc1ccccc1N
InChIInChI=1S/C15H18N2OS/c1-17(2)10-11-9-12(18)7-8-14(11)19-15-6-4-3-5-13(15)16/h3-9,18H,10,16H2,1-2H3
InChIKeyWTZRMYOBIYKNQJ-UHFFFAOYSA-N
XLogP3.19
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(2-aminophenyl)sulfanyl-3-[(dimethylamino)methyl]phenol 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

2-(2-((Dimethylamino)methyl)-4-(2-fluoroethoxy)phenylthio)-benzenamine
CID 24750311
3-(4-(2-Aminophenylthio)-3-((dimethylamino)methyl)phenoxy)-1-propanol
CID 24748795
2-(2-((Dimethylamino)methyl)-4-(3-fluoropropoxy)phenylthio)-benzenamine
CID 24750421
2-(2'-((Dimethylamino)methyl)-4'-(3-[18F]fluoropropoxy)-phenylthio)benzenamine
CID 24748888
2-(4-(2-Aminophenylthio)-3-((dimethylamino)methyl)phenoxy)-ethanol
CID 24748794
2-(2-((Dimethylamino)methyl)-4-(methoxy)phenylthio)benzenamine
CID 24749953
4-(4-Aminophenyl)sulfonyl-3-methylphenol
CID 14547479
2-[2-[(dimethylamino)methyl]-4-(2-(18F)fluoroethoxy)phenyl]sulfanyl(18F)aniline
CID 24748883
4-(2-Amino-4-fluorophenyl)sulfanyl-3-(methylaminomethyl)phenol
CID 142488315
2-[2-[(dimethylamino)methyl]-4-[(Z)-4-fluorobut-2-enoxy]phenyl]sulfanylaniline
CID 145410010
4-(2-Amino-4-fluorophenyl)sulfanyl-3-[(dimethylamino)methyl]phenol
CID 145746083
2-(2-amino-4-fluorophenyl)sulfanyl-5-hydroxy-N,N-dimethylbenzamide
CID 145746094

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)sulfanyl-3-[(dimethylamino)methyl]phenol?
The IUPAC name of 4-(2-aminophenyl)sulfanyl-3-[(dimethylamino)methyl]phenol (CID 24750423) is 4-(2-aminophenyl)sulfanyl-3-[(dimethylamino)methyl]phenol.
What is the SMILES notation for 4-(2-aminophenyl)sulfanyl-3-[(dimethylamino)methyl]phenol?
The canonical SMILES for 4-(2-aminophenyl)sulfanyl-3-[(dimethylamino)methyl]phenol is CN(C)Cc1cc(O)ccc1Sc1ccccc1N.
What is the InChIKey of 4-(2-aminophenyl)sulfanyl-3-[(dimethylamino)methyl]phenol?
The InChIKey is WTZRMYOBIYKNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-17(2)10-11-9-12(18)7-8-14(11)19-15-6-4-3-5-13(15)16/h3-9,18H,10,16H2,1-2H3.
What are the key properties of 4-(2-aminophenyl)sulfanyl-3-[(dimethylamino)methyl]phenol?
4-(2-aminophenyl)sulfanyl-3-[(dimethylamino)methyl]phenol has a molecular weight of 274.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)sulfanyl-3-[(dimethylamino)methyl]phenol is sourced from PubChem (CID 24750423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).