2-[1-(2-methylsulfanylanilino)ethyl]phenol

C15H17NOS — CID 43683498

IUPAC2-[1-(2-methylsulfanylanilino)ethyl]phenol
SMILESCSc1ccccc1NC(C)c1ccccc1O
InChIInChI=1S/C15H17NOS/c1-11(12-7-3-5-9-14(12)17)16-13-8-4-6-10-15(13)18-2/h3-11,16-17H,1-2H3
InChIKeyRJQDYTWWJDPDLD-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.29
Rot. Bonds4

About 2-[1-(2-methylsulfanylanilino)ethyl]phenol

2-[1-(2-methylsulfanylanilino)ethyl]phenol (PubChem CID 43683498) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-[1-(2-methylsulfanylanilino)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(2-methylsulfanylanilino)ethyl]phenol
PubChem CID43683498
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-[1-(2-methylsulfanylanilino)ethyl]phenol
SMILESCSc1ccccc1NC(C)c1ccccc1O
InChIInChI=1S/C15H17NOS/c1-11(12-7-3-5-9-14(12)17)16-13-8-4-6-10-15(13)18-2/h3-11,16-17H,1-2H3
InChIKeyRJQDYTWWJDPDLD-UHFFFAOYSA-N
XLogP4.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[1-(2-methylsulfanylanilino)ethyl]phenol
CID 43683440
2-methylsulfanyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43683371
2-[1-(2-hydroxyphenyl)ethylamino]benzoic acid
CID 43322121
2-fluoro-6-[1-(2-hydroxyphenyl)ethylamino]benzonitrile
CID 43580283
2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol
CID 43716635
N-(2-methylsulfanylphenyl)hydroxylamine
CID 166768546
N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline
CID 43225069
2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol
CID 79769055
2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol
CID 107633370
2-[1-(2,5-dimethylanilino)ethyl]phenol
CID 43196548
2-[1-(2-propan-2-ylanilino)ethyl]benzene-1,4-diol
CID 43192467
2-[1-(5-chloro-2-methylanilino)ethyl]phenol
CID 43189458

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylsulfanylanilino)ethyl]phenol?
The IUPAC name of 2-[1-(2-methylsulfanylanilino)ethyl]phenol (CID 43683498) is 2-[1-(2-methylsulfanylanilino)ethyl]phenol.
What is the SMILES notation for 2-[1-(2-methylsulfanylanilino)ethyl]phenol?
The canonical SMILES for 2-[1-(2-methylsulfanylanilino)ethyl]phenol is CSc1ccccc1NC(C)c1ccccc1O.
What is the InChIKey of 2-[1-(2-methylsulfanylanilino)ethyl]phenol?
The InChIKey is RJQDYTWWJDPDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11(12-7-3-5-9-14(12)17)16-13-8-4-6-10-15(13)18-2/h3-11,16-17H,1-2H3.
What are the key properties of 2-[1-(2-methylsulfanylanilino)ethyl]phenol?
2-[1-(2-methylsulfanylanilino)ethyl]phenol has a molecular weight of 259.37 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylsulfanylanilino)ethyl]phenol is sourced from PubChem (CID 43683498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).