4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine

C14H14F2N2 — CID 103589902

IUPAC4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine
SMILESCc1ccc(F)c(Nc2cc(C)c(F)cc2N)c1
InChIInChI=1S/C14H14F2N2/c1-8-3-4-10(15)13(5-8)18-14-6-9(2)11(16)7-12(14)17/h3-7,18H,17H2,1-2H3
InChIKeyJUGLEPOWPXXISO-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.91
Rot. Bonds2

About 4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine

4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine (PubChem CID 103589902) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine
PubChem CID103589902
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine
SMILESCc1ccc(F)c(Nc2cc(C)c(F)cc2N)c1
InChIInChI=1S/C14H14F2N2/c1-8-3-4-10(15)13(5-8)18-14-6-9(2)11(16)7-12(14)17/h3-7,18H,17H2,1-2H3
InChIKeyJUGLEPOWPXXISO-UHFFFAOYSA-N
XLogP3.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(5-chloro-2-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589946
1-N-(5-bromo-2,4-difluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590831
1-N-(3,5-dichlorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589866
1-N-(5-chloro-2-methoxyphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589872
1-N-[2-(dimethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 106759459
4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine
CID 103590332
2-fluoro-N-(4-fluorophenyl)-5-methylaniline
CID 56637557
1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine
CID 43168899
1-N-(4-bromo-2-chlorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589913
1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine
CID 29067161
4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
CID 29067167
1-N-(4-bromo-3,5-dimethylphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 107571396

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine (CID 103589902) is 4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine is Cc1ccc(F)c(Nc2cc(C)c(F)cc2N)c1.
What is the InChIKey of 4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine?
The InChIKey is JUGLEPOWPXXISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-8-3-4-10(15)13(5-8)18-14-6-9(2)11(16)7-12(14)17/h3-7,18H,17H2,1-2H3.
What are the key properties of 4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine?
4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine has a molecular weight of 248.28 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine is sourced from PubChem (CID 103589902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).