5-methyl-2-(2-phenoxyethylsulfanyl)aniline

C15H17NOS — CID 43302590

IUPAC5-methyl-2-(2-phenoxyethylsulfanyl)aniline
SMILESCc1ccc(SCCOc2ccccc2)c(N)c1
InChIInChI=1S/C15H17NOS/c1-12-7-8-15(14(16)11-12)18-10-9-17-13-5-3-2-4-6-13/h2-8,11H,9-10,16H2,1H3
InChIKeyPVSHVIOCDWMDDV-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.75
Rot. Bonds5

About 5-methyl-2-(2-phenoxyethylsulfanyl)aniline

5-methyl-2-(2-phenoxyethylsulfanyl)aniline (PubChem CID 43302590) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 5-methyl-2-(2-phenoxyethylsulfanyl)aniline.

Molecular Properties

Compound Name5-methyl-2-(2-phenoxyethylsulfanyl)aniline
PubChem CID43302590
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name5-methyl-2-(2-phenoxyethylsulfanyl)aniline
SMILESCc1ccc(SCCOc2ccccc2)c(N)c1
InChIInChI=1S/C15H17NOS/c1-12-7-8-15(14(16)11-12)18-10-9-17-13-5-3-2-4-6-13/h2-8,11H,9-10,16H2,1H3
InChIKeyPVSHVIOCDWMDDV-UHFFFAOYSA-N
XLogP3.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-2-(2-phenoxyethylsulfanyl)aniline 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

5-fluoro-2-(2-phenoxyethylsulfanyl)aniline
CID 43304229
4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine
CID 43299979
2-methyl-6-[2-(3-methylphenoxy)ethylsulfanyl]aniline
CID 79147343
5-methyl-2-(3-phenoxypropoxy)aniline
CID 62056343
4-fluoro-2-(2-phenoxyethylsulfanyl)aniline
CID 79148795
1-methyl-4-(2-phenylsulfanylethoxy)benzene
CID 21280733
4-fluoro-2-[2-(4-methylphenoxy)ethylsulfanyl]aniline
CID 79144279
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-fluoroaniline
CID 43304030
2-[2-(3-methylphenoxy)ethylsulfanyl]benzoic acid
CID 43238209
ethane;1-ethyl-2-[2-(4-methylphenoxy)ethylsulfanyl]benzene
CID 142267698
6-methyl-2-(2-phenoxyethylsulfanyl)pyrimidin-4-amine
CID 47110969
2-(2-phenoxyethylsulfanyl)pyrimidine-4,6-diamine
CID 2291042

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-phenoxyethylsulfanyl)aniline?
The IUPAC name of 5-methyl-2-(2-phenoxyethylsulfanyl)aniline (CID 43302590) is 5-methyl-2-(2-phenoxyethylsulfanyl)aniline.
What is the SMILES notation for 5-methyl-2-(2-phenoxyethylsulfanyl)aniline?
The canonical SMILES for 5-methyl-2-(2-phenoxyethylsulfanyl)aniline is Cc1ccc(SCCOc2ccccc2)c(N)c1.
What is the InChIKey of 5-methyl-2-(2-phenoxyethylsulfanyl)aniline?
The InChIKey is PVSHVIOCDWMDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-12-7-8-15(14(16)11-12)18-10-9-17-13-5-3-2-4-6-13/h2-8,11H,9-10,16H2,1H3.
What are the key properties of 5-methyl-2-(2-phenoxyethylsulfanyl)aniline?
5-methyl-2-(2-phenoxyethylsulfanyl)aniline has a molecular weight of 259.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-phenoxyethylsulfanyl)aniline is sourced from PubChem (CID 43302590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).