2-N-(4-fluoro-2-iodophenyl)-3-methylbenzene-1,2-diamine

C13H12FIN2 — CID 115550702

IUPAC2-N-(4-fluoro-2-iodophenyl)-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1Nc1ccc(F)cc1I
InChIInChI=1S/C13H12FIN2/c1-8-3-2-4-11(16)13(8)17-12-6-5-9(14)7-10(12)15/h2-7,17H,16H2,1H3
InChIKeyOGPKHWNCLNPAHS-UHFFFAOYSA-N
MW342.16 g/mol
LogP4.06
Rot. Bonds2

About 2-N-(4-fluoro-2-iodophenyl)-3-methylbenzene-1,2-diamine

2-N-(4-fluoro-2-iodophenyl)-3-methylbenzene-1,2-diamine (PubChem CID 115550702) has the molecular formula C13H12FIN2 and a molecular weight of 342.16 g/mol. Its IUPAC name is 2-N-(4-fluoro-2-iodophenyl)-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-fluoro-2-iodophenyl)-3-methylbenzene-1,2-diamine
PubChem CID115550702
Molecular FormulaC13H12FIN2
Molecular Weight342.16 g/mol
Exact Mass342.00
IUPAC Name2-N-(4-fluoro-2-iodophenyl)-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1Nc1ccc(F)cc1I
InChIInChI=1S/C13H12FIN2/c1-8-3-2-4-11(16)13(8)17-12-6-5-9(14)7-10(12)15/h2-7,17H,16H2,1H3
InChIKeyOGPKHWNCLNPAHS-UHFFFAOYSA-N
XLogP4.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-(4-bromo-2-fluorophenyl)-3-methylbenzene-1,2-diamine
CID 115549996
2-N-(2,4-dimethylphenyl)-3-methylbenzene-1,2-diamine
CID 115550017
2-N-(4-bromo-2,5-difluorophenyl)-3-methylbenzene-1,2-diamine
CID 107609012
3-chloro-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine
CID 29080237
2-N-(4-fluoro-2-iodophenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83008637
4-fluoro-1-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
CID 20780029
3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
CID 113325343
2-N-(2,5-dibromophenyl)-3-methylbenzene-1,2-diamine
CID 115550238
4-fluoro-N-(2-fluorophenyl)-2-iodoaniline
CID 152736255
2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine
CID 107633682
3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid
CID 79766985
5-fluoro-3-N-(2-fluoro-6-methylphenyl)-2-methylbenzene-1,3-diamine
CID 154647860

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluoro-2-iodophenyl)-3-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(4-fluoro-2-iodophenyl)-3-methylbenzene-1,2-diamine (CID 115550702) is 2-N-(4-fluoro-2-iodophenyl)-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(4-fluoro-2-iodophenyl)-3-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(4-fluoro-2-iodophenyl)-3-methylbenzene-1,2-diamine is Cc1cccc(N)c1Nc1ccc(F)cc1I.
What is the InChIKey of 2-N-(4-fluoro-2-iodophenyl)-3-methylbenzene-1,2-diamine?
The InChIKey is OGPKHWNCLNPAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FIN2/c1-8-3-2-4-11(16)13(8)17-12-6-5-9(14)7-10(12)15/h2-7,17H,16H2,1H3.
What are the key properties of 2-N-(4-fluoro-2-iodophenyl)-3-methylbenzene-1,2-diamine?
2-N-(4-fluoro-2-iodophenyl)-3-methylbenzene-1,2-diamine has a molecular weight of 342.16 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluoro-2-iodophenyl)-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 115550702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).