1-N-(4-ethylsulfanylphenyl)-4-fluorobenzene-1,2-diamine

C14H15FN2S — CID 115124716

IUPAC1-N-(4-ethylsulfanylphenyl)-4-fluorobenzene-1,2-diamine
SMILESCCSc1ccc(Nc2ccc(F)cc2N)cc1
InChIInChI=1S/C14H15FN2S/c1-2-18-12-6-4-11(5-7-12)17-14-8-3-10(15)9-13(14)16/h3-9,17H,2,16H2,1H3
InChIKeyZQZMUGAKENNKAB-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.26
Rot. Bonds4

About 1-N-(4-ethylsulfanylphenyl)-4-fluorobenzene-1,2-diamine

1-N-(4-ethylsulfanylphenyl)-4-fluorobenzene-1,2-diamine (PubChem CID 115124716) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-N-(4-ethylsulfanylphenyl)-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-ethylsulfanylphenyl)-4-fluorobenzene-1,2-diamine
PubChem CID115124716
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name1-N-(4-ethylsulfanylphenyl)-4-fluorobenzene-1,2-diamine
SMILESCCSc1ccc(Nc2ccc(F)cc2N)cc1
InChIInChI=1S/C14H15FN2S/c1-2-18-12-6-4-11(5-7-12)17-14-8-3-10(15)9-13(14)16/h3-9,17H,2,16H2,1H3
InChIKeyZQZMUGAKENNKAB-UHFFFAOYSA-N
XLogP4.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-(4-ethylsulfanylphenyl)-4-fluorobenzene-1,2-diamine 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-1-N-(4-methylsulfanylphenyl)benzene-1,2-diamine
CID 29066750
1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 29066421
4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine
CID 115124737
4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 43148758
4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 29067640
4-fluoro-1-N-(2-methylsulfanylphenyl)benzene-1,2-diamine
CID 107643386
1-N-(3-chloro-4-methylphenyl)-4-fluorobenzene-1,2-diamine
CID 29066317
4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 43148755
4-iodo-1-N-(4-methylsulfanylphenyl)benzene-1,2-diamine
CID 66066450
1-ethylsulfanyl-4-fluorobenzene;methanol
CID 178124027
4-N-(2,4-difluorophenyl)benzene-1,4-diamine
CID 4764057
2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 114281220

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethylsulfanylphenyl)-4-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-(4-ethylsulfanylphenyl)-4-fluorobenzene-1,2-diamine (CID 115124716) is 1-N-(4-ethylsulfanylphenyl)-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(4-ethylsulfanylphenyl)-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(4-ethylsulfanylphenyl)-4-fluorobenzene-1,2-diamine is CCSc1ccc(Nc2ccc(F)cc2N)cc1.
What is the InChIKey of 1-N-(4-ethylsulfanylphenyl)-4-fluorobenzene-1,2-diamine?
The InChIKey is ZQZMUGAKENNKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-2-18-12-6-4-11(5-7-12)17-14-8-3-10(15)9-13(14)16/h3-9,17H,2,16H2,1H3.
What are the key properties of 1-N-(4-ethylsulfanylphenyl)-4-fluorobenzene-1,2-diamine?
1-N-(4-ethylsulfanylphenyl)-4-fluorobenzene-1,2-diamine has a molecular weight of 262.35 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethylsulfanylphenyl)-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 115124716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).