2-N-(4-fluoro-2-iodophenyl)-4,5-dimethoxybenzene-1,2-diamine

C14H14FIN2O2 — CID 83008637

IUPAC2-N-(4-fluoro-2-iodophenyl)-4,5-dimethoxybenzene-1,2-diamine
SMILESCOc1cc(N)c(Nc2ccc(F)cc2I)cc1OC
InChIInChI=1S/C14H14FIN2O2/c1-19-13-6-10(17)12(7-14(13)20-2)18-11-4-3-8(15)5-9(11)16/h3-7,18H,17H2,1-2H3
InChIKeyFWSSQJVEQHPGOR-UHFFFAOYSA-N
MW388.18 g/mol
LogP3.77
Rot. Bonds4

About 2-N-(4-fluoro-2-iodophenyl)-4,5-dimethoxybenzene-1,2-diamine

2-N-(4-fluoro-2-iodophenyl)-4,5-dimethoxybenzene-1,2-diamine (PubChem CID 83008637) has the molecular formula C14H14FIN2O2 and a molecular weight of 388.18 g/mol. Its IUPAC name is 2-N-(4-fluoro-2-iodophenyl)-4,5-dimethoxybenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-fluoro-2-iodophenyl)-4,5-dimethoxybenzene-1,2-diamine
PubChem CID83008637
Molecular FormulaC14H14FIN2O2
Molecular Weight388.18 g/mol
Exact Mass388.01
IUPAC Name2-N-(4-fluoro-2-iodophenyl)-4,5-dimethoxybenzene-1,2-diamine
SMILESCOc1cc(N)c(Nc2ccc(F)cc2I)cc1OC
InChIInChI=1S/C14H14FIN2O2/c1-19-13-6-10(17)12(7-14(13)20-2)18-11-4-3-8(15)5-9(11)16/h3-7,18H,17H2,1-2H3
InChIKeyFWSSQJVEQHPGOR-UHFFFAOYSA-N
XLogP3.77
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.18
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine
CID 63599579
4-chloro-5-fluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
CID 79768709
4-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine
CID 115124711
1-N-(2-bromo-4-fluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63597815
1-N-(4-chloro-2-iodophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107634307
4-bromo-5-fluoro-1-N-(4-fluoro-2-methoxyphenyl)benzene-1,2-diamine
CID 66111706
3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
CID 113325343
2-N-(5-bromo-2-methoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 55068109
2-fluoro-1-N-(2-iodophenyl)-5-methoxybenzene-1,4-diamine
CID 107258709
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-fluoro-2-iodoaniline
CID 79759188
2-N-(4-fluoro-2-iodophenyl)-3-methylbenzene-1,2-diamine
CID 115550702
(4-fluoro-2-methoxyphenyl)hydrazine;hydrochloride
CID 118988799

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluoro-2-iodophenyl)-4,5-dimethoxybenzene-1,2-diamine?
The IUPAC name of 2-N-(4-fluoro-2-iodophenyl)-4,5-dimethoxybenzene-1,2-diamine (CID 83008637) is 2-N-(4-fluoro-2-iodophenyl)-4,5-dimethoxybenzene-1,2-diamine.
What is the SMILES notation for 2-N-(4-fluoro-2-iodophenyl)-4,5-dimethoxybenzene-1,2-diamine?
The canonical SMILES for 2-N-(4-fluoro-2-iodophenyl)-4,5-dimethoxybenzene-1,2-diamine is COc1cc(N)c(Nc2ccc(F)cc2I)cc1OC.
What is the InChIKey of 2-N-(4-fluoro-2-iodophenyl)-4,5-dimethoxybenzene-1,2-diamine?
The InChIKey is FWSSQJVEQHPGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FIN2O2/c1-19-13-6-10(17)12(7-14(13)20-2)18-11-4-3-8(15)5-9(11)16/h3-7,18H,17H2,1-2H3.
What are the key properties of 2-N-(4-fluoro-2-iodophenyl)-4,5-dimethoxybenzene-1,2-diamine?
2-N-(4-fluoro-2-iodophenyl)-4,5-dimethoxybenzene-1,2-diamine has a molecular weight of 388.18 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluoro-2-iodophenyl)-4,5-dimethoxybenzene-1,2-diamine is sourced from PubChem (CID 83008637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).