4-fluoro-5-iodo-2-N-(1-methoxypentan-2-yl)benzene-1,2-diamine

C12H18FIN2O — CID 66099739

IUPAC4-fluoro-5-iodo-2-N-(1-methoxypentan-2-yl)benzene-1,2-diamine
SMILESCCCC(COC)Nc1cc(F)c(I)cc1N
InChIInChI=1S/C12H18FIN2O/c1-3-4-8(7-17-2)16-12-5-9(13)10(14)6-11(12)15/h5-6,8,16H,3-4,7,15H2,1-2H3
InChIKeyDKNWYMRGUCWHTK-UHFFFAOYSA-N
MW352.19 g/mol
LogP3.24
Rot. Bonds6

About 4-fluoro-5-iodo-2-N-(1-methoxypentan-2-yl)benzene-1,2-diamine

4-fluoro-5-iodo-2-N-(1-methoxypentan-2-yl)benzene-1,2-diamine (PubChem CID 66099739) has the molecular formula C12H18FIN2O and a molecular weight of 352.19 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-N-(1-methoxypentan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-N-(1-methoxypentan-2-yl)benzene-1,2-diamine
PubChem CID66099739
Molecular FormulaC12H18FIN2O
Molecular Weight352.19 g/mol
Exact Mass352.04
IUPAC Name4-fluoro-5-iodo-2-N-(1-methoxypentan-2-yl)benzene-1,2-diamine
SMILESCCCC(COC)Nc1cc(F)c(I)cc1N
InChIInChI=1S/C12H18FIN2O/c1-3-4-8(7-17-2)16-12-5-9(13)10(14)6-11(12)15/h5-6,8,16H,3-4,7,15H2,1-2H3
InChIKeyDKNWYMRGUCWHTK-UHFFFAOYSA-N
XLogP3.24
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 53.24
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

4-fluoro-1-N-(1-methoxypentan-2-yl)-5-methylbenzene-1,2-diamine
CID 103590454
2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol
CID 66099680
2-(2-amino-5-fluoro-4-iodoanilino)propane-1,3-diol
CID 66102489
4-fluoro-5-iodo-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine
CID 66099931
2-bromo-1-N-(1-methoxypentan-2-yl)-5-methylbenzene-1,4-diamine
CID 114048264
2-(2-amino-5-fluoro-4-iodoanilino)-4-methylpentan-1-ol
CID 66100480
2-chloro-4-N-(1-methoxypentan-2-yl)-5-methylbenzene-1,4-diamine
CID 113334355
4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine
CID 63592455
2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101653
4-ethoxy-5-fluoro-2-N-hexan-3-ylbenzene-1,2-diamine
CID 63592175
2-N-(2-butoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66099520
4-fluoro-5-iodo-2-(1-methoxypropan-2-yloxy)aniline
CID 66099971

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-N-(1-methoxypentan-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-iodo-2-N-(1-methoxypentan-2-yl)benzene-1,2-diamine (CID 66099739) is 4-fluoro-5-iodo-2-N-(1-methoxypentan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-iodo-2-N-(1-methoxypentan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-iodo-2-N-(1-methoxypentan-2-yl)benzene-1,2-diamine is CCCC(COC)Nc1cc(F)c(I)cc1N.
What is the InChIKey of 4-fluoro-5-iodo-2-N-(1-methoxypentan-2-yl)benzene-1,2-diamine?
The InChIKey is DKNWYMRGUCWHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FIN2O/c1-3-4-8(7-17-2)16-12-5-9(13)10(14)6-11(12)15/h5-6,8,16H,3-4,7,15H2,1-2H3.
What are the key properties of 4-fluoro-5-iodo-2-N-(1-methoxypentan-2-yl)benzene-1,2-diamine?
4-fluoro-5-iodo-2-N-(1-methoxypentan-2-yl)benzene-1,2-diamine has a molecular weight of 352.19 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-N-(1-methoxypentan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 66099739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).