4-fluoro-2-iodo-N-(2-methylbutyl)aniline

C11H15FIN — CID 79769161

IUPAC4-fluoro-2-iodo-N-(2-methylbutyl)aniline
SMILESCCC(C)CNc1ccc(F)cc1I
InChIInChI=1S/C11H15FIN/c1-3-8(2)7-14-11-5-4-9(12)6-10(11)13/h4-6,8,14H,3,7H2,1-2H3
InChIKeyQRFPGKPIVCSTJZ-UHFFFAOYSA-N
MW307.15 g/mol
LogP3.89
Rot. Bonds4

About 4-fluoro-2-iodo-N-(2-methylbutyl)aniline

4-fluoro-2-iodo-N-(2-methylbutyl)aniline (PubChem CID 79769161) has the molecular formula C11H15FIN and a molecular weight of 307.15 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-(2-methylbutyl)aniline
PubChem CID79769161
Molecular FormulaC11H15FIN
Molecular Weight307.15 g/mol
Exact Mass307.02
IUPAC Name4-fluoro-2-iodo-N-(2-methylbutyl)aniline
SMILESCCC(C)CNc1ccc(F)cc1I
InChIInChI=1S/C11H15FIN/c1-3-8(2)7-14-11-5-4-9(12)6-10(11)13/h4-6,8,14H,3,7H2,1-2H3
InChIKeyQRFPGKPIVCSTJZ-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-fluoro-2-iodophenyl)-2-methylpropane-1,3-diamine
CID 126985657
1-(4-fluoro-2-iodoanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 79769591
4-fluoro-2-iodo-N-pentan-2-ylaniline
CID 79769228
2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide
CID 79769575
1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol
CID 79769099
N,N-diethyl-2-(4-fluoro-2-iodoanilino)acetamide
CID 79769175
4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline
CID 79769171
4-fluoro-2-iodo-N-(2-methoxyethyl)aniline
CID 79769085
1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 79759481
2-bromo-4-methyl-N-(2-methylbutyl)aniline
CID 43111742
2,4-dibromo-N-(2-methylbutyl)aniline
CID 43683023
N-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline
CID 79768890

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-(2-methylbutyl)aniline?
The IUPAC name of 4-fluoro-2-iodo-N-(2-methylbutyl)aniline (CID 79769161) is 4-fluoro-2-iodo-N-(2-methylbutyl)aniline.
What is the SMILES notation for 4-fluoro-2-iodo-N-(2-methylbutyl)aniline?
The canonical SMILES for 4-fluoro-2-iodo-N-(2-methylbutyl)aniline is CCC(C)CNc1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-2-iodo-N-(2-methylbutyl)aniline?
The InChIKey is QRFPGKPIVCSTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FIN/c1-3-8(2)7-14-11-5-4-9(12)6-10(11)13/h4-6,8,14H,3,7H2,1-2H3.
What are the key properties of 4-fluoro-2-iodo-N-(2-methylbutyl)aniline?
4-fluoro-2-iodo-N-(2-methylbutyl)aniline has a molecular weight of 307.15 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-(2-methylbutyl)aniline is sourced from PubChem (CID 79769161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).