4-fluoro-N-[2-(2-methylphenyl)sulfanylethyl]aniline

C15H16FNS — CID 62577601

IUPAC4-fluoro-N-[2-(2-methylphenyl)sulfanylethyl]aniline
SMILESCc1ccccc1SCCNc1ccc(F)cc1
InChIInChI=1S/C15H16FNS/c1-12-4-2-3-5-15(12)18-11-10-17-14-8-6-13(16)7-9-14/h2-9,17H,10-11H2,1H3
InChIKeyFJIPLXNDSXZYMN-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.34
Rot. Bonds5

About 4-fluoro-N-[2-(2-methylphenyl)sulfanylethyl]aniline

4-fluoro-N-[2-(2-methylphenyl)sulfanylethyl]aniline (PubChem CID 62577601) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-methylphenyl)sulfanylethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-methylphenyl)sulfanylethyl]aniline
PubChem CID62577601
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name4-fluoro-N-[2-(2-methylphenyl)sulfanylethyl]aniline
SMILESCc1ccccc1SCCNc1ccc(F)cc1
InChIInChI=1S/C15H16FNS/c1-12-4-2-3-5-15(12)18-11-10-17-14-8-6-13(16)7-9-14/h2-9,17H,10-11H2,1H3
InChIKeyFJIPLXNDSXZYMN-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-N-[2-(2-methylphenyl)sulfanylethyl]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

4-fluoro-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]aniline
CID 63515979
4-fluoro-N-[2-(4-fluorophenyl)sulfanylethyl]aniline
CID 55024188
N-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline
CID 55024156
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
N-[2-(2,5-difluorophenyl)sulfanylethyl]-2-methylaniline
CID 62577630
2-methyl-N-[2-(2-methylphenyl)sulfanylethyl]butan-2-amine
CID 62576594
N-benzyl-2-(2-methylphenyl)sulfanylethanamine
CID 55091993
4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline
CID 82095998
4-chloro-N-[2-(2,5-difluorophenyl)sulfanylethyl]aniline
CID 63517770
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 66096733
N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 54805514
5-methyl-N-[2-(2-methylphenyl)sulfanylethyl]hexan-2-amine
CID 55194967

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-methylphenyl)sulfanylethyl]aniline?
The IUPAC name of 4-fluoro-N-[2-(2-methylphenyl)sulfanylethyl]aniline (CID 62577601) is 4-fluoro-N-[2-(2-methylphenyl)sulfanylethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[2-(2-methylphenyl)sulfanylethyl]aniline?
The canonical SMILES for 4-fluoro-N-[2-(2-methylphenyl)sulfanylethyl]aniline is Cc1ccccc1SCCNc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(2-methylphenyl)sulfanylethyl]aniline?
The InChIKey is FJIPLXNDSXZYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c1-12-4-2-3-5-15(12)18-11-10-17-14-8-6-13(16)7-9-14/h2-9,17H,10-11H2,1H3.
What are the key properties of 4-fluoro-N-[2-(2-methylphenyl)sulfanylethyl]aniline?
4-fluoro-N-[2-(2-methylphenyl)sulfanylethyl]aniline has a molecular weight of 261.37 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-methylphenyl)sulfanylethyl]aniline is sourced from PubChem (CID 62577601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).