3-[1-(4-methylsulfanylanilino)ethyl]phenol

C15H17NOS — CID 43192285

IUPAC3-[1-(4-methylsulfanylanilino)ethyl]phenol
SMILESCSc1ccc(NC(C)c2cccc(O)c2)cc1
InChIInChI=1S/C15H17NOS/c1-11(12-4-3-5-14(17)10-12)16-13-6-8-15(18-2)9-7-13/h3-11,16-17H,1-2H3
InChIKeyQWTGEJLEUCDFBF-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.29
Rot. Bonds4

About 3-[1-(4-methylsulfanylanilino)ethyl]phenol

3-[1-(4-methylsulfanylanilino)ethyl]phenol (PubChem CID 43192285) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 3-[1-(4-methylsulfanylanilino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(4-methylsulfanylanilino)ethyl]phenol
PubChem CID43192285
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name3-[1-(4-methylsulfanylanilino)ethyl]phenol
SMILESCSc1ccc(NC(C)c2cccc(O)c2)cc1
InChIInChI=1S/C15H17NOS/c1-11(12-4-3-5-14(17)10-12)16-13-6-8-15(18-2)9-7-13/h3-11,16-17H,1-2H3
InChIKeyQWTGEJLEUCDFBF-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

2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol
CID 64793713
4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43103988
3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol
CID 104775910
1-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-3-methylurea
CID 43744418
3-[1-(4-butylanilino)ethyl]phenol
CID 43110475
3-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]ethyl]phenol
CID 43682811
2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide
CID 43714113
N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline
CID 43192256
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)ethyl]phenol
CID 43193625
N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline
CID 43192263
3-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597330
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylsulfanylanilino)ethyl]phenol?
The IUPAC name of 3-[1-(4-methylsulfanylanilino)ethyl]phenol (CID 43192285) is 3-[1-(4-methylsulfanylanilino)ethyl]phenol.
What is the SMILES notation for 3-[1-(4-methylsulfanylanilino)ethyl]phenol?
The canonical SMILES for 3-[1-(4-methylsulfanylanilino)ethyl]phenol is CSc1ccc(NC(C)c2cccc(O)c2)cc1.
What is the InChIKey of 3-[1-(4-methylsulfanylanilino)ethyl]phenol?
The InChIKey is QWTGEJLEUCDFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11(12-4-3-5-14(17)10-12)16-13-6-8-15(18-2)9-7-13/h3-11,16-17H,1-2H3.
What are the key properties of 3-[1-(4-methylsulfanylanilino)ethyl]phenol?
3-[1-(4-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 3-[1-(4-methylsulfanylanilino)ethyl]phenol is sourced from PubChem (CID 43192285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).