4-[1-(2-methylsulfanylanilino)ethyl]phenol

C15H17NOS — CID 43683440

IUPAC4-[1-(2-methylsulfanylanilino)ethyl]phenol
SMILESCSc1ccccc1NC(C)c1ccc(O)cc1
InChIInChI=1S/C15H17NOS/c1-11(12-7-9-13(17)10-8-12)16-14-5-3-4-6-15(14)18-2/h3-11,16-17H,1-2H3
InChIKeyVDIFQEXQSJFCGM-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.29
Rot. Bonds4

About 4-[1-(2-methylsulfanylanilino)ethyl]phenol

4-[1-(2-methylsulfanylanilino)ethyl]phenol (PubChem CID 43683440) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 4-[1-(2-methylsulfanylanilino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(2-methylsulfanylanilino)ethyl]phenol
PubChem CID43683440
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name4-[1-(2-methylsulfanylanilino)ethyl]phenol
SMILESCSc1ccccc1NC(C)c1ccc(O)cc1
InChIInChI=1S/C15H17NOS/c1-11(12-7-9-13(17)10-8-12)16-14-5-3-4-6-15(14)18-2/h3-11,16-17H,1-2H3
InChIKeyVDIFQEXQSJFCGM-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

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline
CID 43225069
2-[1-(2-methylsulfanylanilino)ethyl]phenol
CID 43683498
5-[1-(2-ethylsulfanylanilino)ethyl]benzene-1,3-diol
CID 107706134
4-[1-[2-(ethoxymethyl)anilino]ethyl]phenol
CID 43750386
4-[1-[2-(2-methoxyethyl)anilino]ethyl]phenol
CID 102903882
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methylsulfanylaniline
CID 43683480
4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol
CID 43689985
N-(2-methylsulfanylphenyl)hydroxylamine
CID 166768546
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylaniline
CID 102976894
4-[1-(2,1,3-benzoselenadiazol-4-ylamino)ethyl]phenol
CID 43715966
2-N,2-N-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine
CID 43726515
3-[1-(4-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741819

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylsulfanylanilino)ethyl]phenol?
The IUPAC name of 4-[1-(2-methylsulfanylanilino)ethyl]phenol (CID 43683440) is 4-[1-(2-methylsulfanylanilino)ethyl]phenol.
What is the SMILES notation for 4-[1-(2-methylsulfanylanilino)ethyl]phenol?
The canonical SMILES for 4-[1-(2-methylsulfanylanilino)ethyl]phenol is CSc1ccccc1NC(C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(2-methylsulfanylanilino)ethyl]phenol?
The InChIKey is VDIFQEXQSJFCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11(12-7-9-13(17)10-8-12)16-14-5-3-4-6-15(14)18-2/h3-11,16-17H,1-2H3.
What are the key properties of 4-[1-(2-methylsulfanylanilino)ethyl]phenol?
4-[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 4-[1-(2-methylsulfanylanilino)ethyl]phenol is sourced from PubChem (CID 43683440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).