2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine

C12H18FIN2 — CID 66101509

IUPAC2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine
SMILESCC(C)C(C)CNc1cc(F)c(I)cc1N
InChIInChI=1S/C12H18FIN2/c1-7(2)8(3)6-16-12-4-9(13)10(14)5-11(12)15/h4-5,7-8,16H,6,15H2,1-3H3
InChIKeyHLNHSDLFVKIZED-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.72
Rot. Bonds4

About 2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine

2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine (PubChem CID 66101509) has the molecular formula C12H18FIN2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine
PubChem CID66101509
Molecular FormulaC12H18FIN2
Molecular Weight336.19 g/mol
Exact Mass336.05
IUPAC Name2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine
SMILESCC(C)C(C)CNc1cc(F)c(I)cc1N
InChIInChI=1S/C12H18FIN2/c1-7(2)8(3)6-16-12-4-9(13)10(14)5-11(12)15/h4-5,7-8,16H,6,15H2,1-3H3
InChIKeyHLNHSDLFVKIZED-UHFFFAOYSA-N
XLogP3.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.72
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-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-5-iodobenzene-1,2-diamine
CID 114133046
4-fluoro-5-iodo-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine
CID 66099931
4-fluoro-5-iodo-2-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,2-diamine
CID 106036670
4-chloro-2-N-(2,3-dimethylbutyl)benzene-1,2-diamine
CID 115469039
2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101653
3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide
CID 66102068
2-(2-amino-5-fluoro-4-iodoanilino)propane-1,3-diol
CID 66102489
2-(2-amino-5-fluoro-4-iodoanilino)-4-methylpentan-1-ol
CID 66100480
2-N-[(3,4-difluorophenyl)methyl]-4-fluoro-5-iodobenzene-1,2-diamine
CID 66102255
2-N-(2-butoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66099520
4-fluoro-5-iodo-2-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine
CID 66102468
2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol
CID 66099680

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine?
The IUPAC name of 2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine (CID 66101509) is 2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine?
The canonical SMILES for 2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine is CC(C)C(C)CNc1cc(F)c(I)cc1N.
What is the InChIKey of 2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine?
The InChIKey is HLNHSDLFVKIZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FIN2/c1-7(2)8(3)6-16-12-4-9(13)10(14)5-11(12)15/h4-5,7-8,16H,6,15H2,1-3H3.
What are the key properties of 2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine?
2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine has a molecular weight of 336.19 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine is sourced from PubChem (CID 66101509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).