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

C13H12FIN2O — CID 107258709

IUPAC2-fluoro-1-N-(2-iodophenyl)-5-methoxybenzene-1,4-diamine
SMILESCOc1cc(Nc2ccccc2I)c(F)cc1N
InChIInChI=1S/C13H12FIN2O/c1-18-13-7-12(8(14)6-10(13)16)17-11-5-3-2-4-9(11)15/h2-7,17H,16H2,1H3
InChIKeyPBRMNYVBKSHITF-UHFFFAOYSA-N
MW358.15 g/mol
LogP3.76
Rot. Bonds3

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

2-fluoro-1-N-(2-iodophenyl)-5-methoxybenzene-1,4-diamine (PubChem CID 107258709) has the molecular formula C13H12FIN2O and a molecular weight of 358.15 g/mol. Its IUPAC name is 2-fluoro-1-N-(2-iodophenyl)-5-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-(2-iodophenyl)-5-methoxybenzene-1,4-diamine
PubChem CID107258709
Molecular FormulaC13H12FIN2O
Molecular Weight358.15 g/mol
Exact Mass358.00
IUPAC Name2-fluoro-1-N-(2-iodophenyl)-5-methoxybenzene-1,4-diamine
SMILESCOc1cc(Nc2ccccc2I)c(F)cc1N
InChIInChI=1S/C13H12FIN2O/c1-18-13-7-12(8(14)6-10(13)16)17-11-5-3-2-4-9(11)15/h2-7,17H,16H2,1H3
InChIKeyPBRMNYVBKSHITF-UHFFFAOYSA-N
XLogP3.76
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.15
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-chloro-2-iodophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107634307
4-(difluoromethoxy)-5-fluoro-2-N-(2-iodophenyl)benzene-1,2-diamine
CID 63592922
4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine
CID 63599048
1-N-(5-chloro-2-methylphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258741
2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine
CID 107643379
5-fluoro-4-iodo-2-methoxyaniline
CID 131593338
2-fluoro-5-methoxy-1-N-(4-methoxy-3-methylphenyl)benzene-1,4-diamine
CID 107258978
1-N-benzyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258625
1-N-(4-bromo-2-chlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258759
1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258702
1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258678
2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine
CID 107258624

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-(2-iodophenyl)-5-methoxybenzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-(2-iodophenyl)-5-methoxybenzene-1,4-diamine (CID 107258709) is 2-fluoro-1-N-(2-iodophenyl)-5-methoxybenzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-(2-iodophenyl)-5-methoxybenzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-(2-iodophenyl)-5-methoxybenzene-1,4-diamine is COc1cc(Nc2ccccc2I)c(F)cc1N.
What is the InChIKey of 2-fluoro-1-N-(2-iodophenyl)-5-methoxybenzene-1,4-diamine?
The InChIKey is PBRMNYVBKSHITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FIN2O/c1-18-13-7-12(8(14)6-10(13)16)17-11-5-3-2-4-9(11)15/h2-7,17H,16H2,1H3.
What are the key properties of 2-fluoro-1-N-(2-iodophenyl)-5-methoxybenzene-1,4-diamine?
2-fluoro-1-N-(2-iodophenyl)-5-methoxybenzene-1,4-diamine has a molecular weight of 358.15 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-(2-iodophenyl)-5-methoxybenzene-1,4-diamine is sourced from PubChem (CID 107258709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).