4-fluoro-2-(2-phenylcyclopropyl)sulfanylaniline

C15H14FNS — CID 116516619

IUPAC4-fluoro-2-(2-phenylcyclopropyl)sulfanylaniline
SMILESNc1ccc(F)cc1SC1CC1c1ccccc1
InChIInChI=1S/C15H14FNS/c16-11-6-7-13(17)15(8-11)18-14-9-12(14)10-4-2-1-3-5-10/h1-8,12,14H,9,17H2
InChIKeySOTMIYKRAHUXGK-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.06
Rot. Bonds3

About 4-fluoro-2-(2-phenylcyclopropyl)sulfanylaniline

4-fluoro-2-(2-phenylcyclopropyl)sulfanylaniline (PubChem CID 116516619) has the molecular formula C15H14FNS and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-fluoro-2-(2-phenylcyclopropyl)sulfanylaniline.

Molecular Properties

Compound Name4-fluoro-2-(2-phenylcyclopropyl)sulfanylaniline
PubChem CID116516619
Molecular FormulaC15H14FNS
Molecular Weight259.35 g/mol
Exact Mass259.08
IUPAC Name4-fluoro-2-(2-phenylcyclopropyl)sulfanylaniline
SMILESNc1ccc(F)cc1SC1CC1c1ccccc1
InChIInChI=1S/C15H14FNS/c16-11-6-7-13(17)15(8-11)18-14-9-12(14)10-4-2-1-3-5-10/h1-8,12,14H,9,17H2
InChIKeySOTMIYKRAHUXGK-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-(2-phenylcyclopropyl)sulfanylaniline 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

2-(Benzylthio)aniline
CID 80616
p-Toluidine, alpha-(phenylthio)-
CID 96784
Benzenamine, 2-((4-methylphenyl)thio)-
CID 140075
3-Amino-3-(2-amino-phenylsulfanyl)-2-phenyl-propionitrile
CID 44283728
4-(Benzylsulfanyl)aniline
CID 5084145
3,3'-Di(isopropylthio)-4,4'-diaminodiphenylmethane
CID 152851
4-{[4-(Propan-2-yl)phenyl]sulfanyl}aniline
CID 12337970
2-[1-[4-(2-Fluorophenyl)phenyl]propylsulfanyl]aniline
CID 2741181
2-[(4-Fluorophenyl)sulfanyl]aniline
CID 28401579
2-[(2,3,4,5,6-Pentamethylphenyl)methylsulfanyl]aniline
CID 2818586
4,4'-Methylenebis[2-(ethylsulfanyl)aniline]
CID 135482
2-(4-Methylphenyl)sulfanylaniline;hydrochloride
CID 365384

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-phenylcyclopropyl)sulfanylaniline?
The IUPAC name of 4-fluoro-2-(2-phenylcyclopropyl)sulfanylaniline (CID 116516619) is 4-fluoro-2-(2-phenylcyclopropyl)sulfanylaniline.
What is the SMILES notation for 4-fluoro-2-(2-phenylcyclopropyl)sulfanylaniline?
The canonical SMILES for 4-fluoro-2-(2-phenylcyclopropyl)sulfanylaniline is Nc1ccc(F)cc1SC1CC1c1ccccc1.
What is the InChIKey of 4-fluoro-2-(2-phenylcyclopropyl)sulfanylaniline?
The InChIKey is SOTMIYKRAHUXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNS/c16-11-6-7-13(17)15(8-11)18-14-9-12(14)10-4-2-1-3-5-10/h1-8,12,14H,9,17H2.
What are the key properties of 4-fluoro-2-(2-phenylcyclopropyl)sulfanylaniline?
4-fluoro-2-(2-phenylcyclopropyl)sulfanylaniline has a molecular weight of 259.35 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-phenylcyclopropyl)sulfanylaniline is sourced from PubChem (CID 116516619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).