5-[(5-amino-4-fluoro-2-methylphenyl)disulfanyl]-2-fluoro-4-methylaniline

C14H14F2N2S2 — CID 90220032

IUPAC5-[(5-amino-4-fluoro-2-methylphenyl)disulfanyl]-2-fluoro-4-methylaniline
SMILESCc1cc(F)c(N)cc1SSc1cc(N)c(F)cc1C
InChIInChI=1S/C14H14F2N2S2/c1-7-3-9(15)11(17)5-13(7)19-20-14-6-12(18)10(16)4-8(14)2/h3-6H,17-18H2,1-2H3
InChIKeyTUJOPWJNDGYELJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.55
Rot. Bonds3

About 5-[(5-amino-4-fluoro-2-methylphenyl)disulfanyl]-2-fluoro-4-methylaniline

5-[(5-amino-4-fluoro-2-methylphenyl)disulfanyl]-2-fluoro-4-methylaniline (PubChem CID 90220032) has the molecular formula C14H14F2N2S2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 5-[(5-amino-4-fluoro-2-methylphenyl)disulfanyl]-2-fluoro-4-methylaniline.

Molecular Properties

Compound Name5-[(5-amino-4-fluoro-2-methylphenyl)disulfanyl]-2-fluoro-4-methylaniline
PubChem CID90220032
Molecular FormulaC14H14F2N2S2
Molecular Weight312.41 g/mol
Exact Mass312.06
IUPAC Name5-[(5-amino-4-fluoro-2-methylphenyl)disulfanyl]-2-fluoro-4-methylaniline
SMILESCc1cc(F)c(N)cc1SSc1cc(N)c(F)cc1C
InChIInChI=1S/C14H14F2N2S2/c1-7-3-9(15)11(17)5-13(7)19-20-14-6-12(18)10(16)4-8(14)2/h3-6H,17-18H2,1-2H3
InChIKeyTUJOPWJNDGYELJ-UHFFFAOYSA-N
XLogP4.55
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(5-amino-4-fluoro-2-methylphenyl)disulfanyl]-2-fluoro-4-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-4-fluoro-2-methylphenyl)disulfanyl]-2-fluoro-4-methylaniline?
The IUPAC name of 5-[(5-amino-4-fluoro-2-methylphenyl)disulfanyl]-2-fluoro-4-methylaniline (CID 90220032) is 5-[(5-amino-4-fluoro-2-methylphenyl)disulfanyl]-2-fluoro-4-methylaniline.
What is the SMILES notation for 5-[(5-amino-4-fluoro-2-methylphenyl)disulfanyl]-2-fluoro-4-methylaniline?
The canonical SMILES for 5-[(5-amino-4-fluoro-2-methylphenyl)disulfanyl]-2-fluoro-4-methylaniline is Cc1cc(F)c(N)cc1SSc1cc(N)c(F)cc1C.
What is the InChIKey of 5-[(5-amino-4-fluoro-2-methylphenyl)disulfanyl]-2-fluoro-4-methylaniline?
The InChIKey is TUJOPWJNDGYELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2S2/c1-7-3-9(15)11(17)5-13(7)19-20-14-6-12(18)10(16)4-8(14)2/h3-6H,17-18H2,1-2H3.
What are the key properties of 5-[(5-amino-4-fluoro-2-methylphenyl)disulfanyl]-2-fluoro-4-methylaniline?
5-[(5-amino-4-fluoro-2-methylphenyl)disulfanyl]-2-fluoro-4-methylaniline has a molecular weight of 312.41 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-4-fluoro-2-methylphenyl)disulfanyl]-2-fluoro-4-methylaniline is sourced from PubChem (CID 90220032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).