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

C13H20FIN2 — CID 66099931

IUPAC4-fluoro-5-iodo-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine
SMILESCC(C)CCC(C)Nc1cc(F)c(I)cc1N
InChIInChI=1S/C13H20FIN2/c1-8(2)4-5-9(3)17-13-6-10(14)11(15)7-12(13)16/h6-9,17H,4-5,16H2,1-3H3
InChIKeyVRAHTNALDCMRQR-UHFFFAOYSA-N
MW350.22 g/mol
LogP4.25
Rot. Bonds5

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

4-fluoro-5-iodo-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine (PubChem CID 66099931) has the molecular formula C13H20FIN2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine
PubChem CID66099931
Molecular FormulaC13H20FIN2
Molecular Weight350.22 g/mol
Exact Mass350.07
IUPAC Name4-fluoro-5-iodo-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine
SMILESCC(C)CCC(C)Nc1cc(F)c(I)cc1N
InChIInChI=1S/C13H20FIN2/c1-8(2)4-5-9(3)17-13-6-10(14)11(15)7-12(13)16/h6-9,17H,4-5,16H2,1-3H3
InChIKeyVRAHTNALDCMRQR-UHFFFAOYSA-N
XLogP4.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 54.25
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-(2-amino-5-fluoro-4-iodoanilino)-4-methylpentan-1-ol
CID 66100480
4-(difluoromethoxy)-5-fluoro-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine
CID 63926092
2-(2-amino-5-fluoro-4-iodoanilino)propane-1,3-diol
CID 66102489
2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol
CID 66099680
2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101509
4-fluoro-5-iodo-2-N-(1-methoxypentan-2-yl)benzene-1,2-diamine
CID 66099739
4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine
CID 66101255
2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoro-5-iodobenzene-1,2-diamine
CID 66099897
4-fluoro-5-iodo-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
CID 66101858
4-fluoro-5-iodo-2-(3-methylbutoxy)aniline
CID 66100154
2-N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-5-iodobenzene-1,2-diamine
CID 114133046
4-fluoro-5-iodo-2-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,2-diamine
CID 106036670

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-iodo-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine (CID 66099931) is 4-fluoro-5-iodo-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-iodo-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-iodo-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine is CC(C)CCC(C)Nc1cc(F)c(I)cc1N.
What is the InChIKey of 4-fluoro-5-iodo-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine?
The InChIKey is VRAHTNALDCMRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FIN2/c1-8(2)4-5-9(3)17-13-6-10(14)11(15)7-12(13)16/h6-9,17H,4-5,16H2,1-3H3.
What are the key properties of 4-fluoro-5-iodo-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine?
4-fluoro-5-iodo-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine has a molecular weight of 350.22 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 66099931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).