2-fluoro-6-iodo-4-methylaniline;2-fluoro-4-methylaniline

C14H15F2IN2 — CID 159859680

IUPAC2-fluoro-6-iodo-4-methylaniline;2-fluoro-4-methylaniline
SMILESCc1cc(F)c(N)c(I)c1.Cc1ccc(N)c(F)c1
InChIInChI=1S/C7H7FIN.C7H8FN/c1-4-2-5(8)7(10)6(9)3-4;1-5-2-3-7(9)6(8)4-5/h2-3H,10H2,1H3;2-4H,9H2,1H3
InChIKeyNQZCZQDALYSLJR-UHFFFAOYSA-N
MW376.19 g/mol
LogP4.04
Rot. Bonds

About 2-fluoro-6-iodo-4-methylaniline;2-fluoro-4-methylaniline

2-fluoro-6-iodo-4-methylaniline;2-fluoro-4-methylaniline (PubChem CID 159859680) has the molecular formula C14H15F2IN2 and a molecular weight of 376.19 g/mol. Its IUPAC name is 2-fluoro-6-iodo-4-methylaniline;2-fluoro-4-methylaniline.

Molecular Properties

Compound Name2-fluoro-6-iodo-4-methylaniline;2-fluoro-4-methylaniline
PubChem CID159859680
Molecular FormulaC14H15F2IN2
Molecular Weight376.19 g/mol
Exact Mass376.02
IUPAC Name2-fluoro-6-iodo-4-methylaniline;2-fluoro-4-methylaniline
SMILESCc1cc(F)c(N)c(I)c1.Cc1ccc(N)c(F)c1
InChIInChI=1S/C7H7FIN.C7H8FN/c1-4-2-5(8)7(10)6(9)3-4;1-5-2-3-7(9)6(8)4-5/h2-3H,10H2,1H3;2-4H,9H2,1H3
InChIKeyNQZCZQDALYSLJR-UHFFFAOYSA-N
XLogP4.04
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 54.04
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-fluoro-4-methylaniline;hydrochloride
CID 139976919
1,2-difluoro-4-methylbenzene;methanamine
CID 142872799
3-fluoro-2,5-dimethylaniline
CID 55289526
2-(3,5-difluorophenyl)-4-methylaniline
CID 61025824
2-(2-fluorophenyl)-4-methylaniline
CID 62492091
3-fluoro-4-(2-fluoro-4-methylphenyl)aniline
CID 90222645
2-iodo-4-methyl-6-methylphosphanylaniline
CID 155131502
4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline
CID 66101916
4-N-[(2,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123857
4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide
CID 82761895
1-(5-chloro-2-fluorophenyl)-2-iodo-4-methylbenzene
CID 172676581
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-iodo-4-methylaniline;2-fluoro-4-methylaniline?
The IUPAC name of 2-fluoro-6-iodo-4-methylaniline;2-fluoro-4-methylaniline (CID 159859680) is 2-fluoro-6-iodo-4-methylaniline;2-fluoro-4-methylaniline.
What is the SMILES notation for 2-fluoro-6-iodo-4-methylaniline;2-fluoro-4-methylaniline?
The canonical SMILES for 2-fluoro-6-iodo-4-methylaniline;2-fluoro-4-methylaniline is Cc1cc(F)c(N)c(I)c1.Cc1ccc(N)c(F)c1.
What is the InChIKey of 2-fluoro-6-iodo-4-methylaniline;2-fluoro-4-methylaniline?
The InChIKey is NQZCZQDALYSLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FIN.C7H8FN/c1-4-2-5(8)7(10)6(9)3-4;1-5-2-3-7(9)6(8)4-5/h2-3H,10H2,1H3;2-4H,9H2,1H3.
What are the key properties of 2-fluoro-6-iodo-4-methylaniline;2-fluoro-4-methylaniline?
2-fluoro-6-iodo-4-methylaniline;2-fluoro-4-methylaniline has a molecular weight of 376.19 g/mol, XLogP of 4.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-iodo-4-methylaniline;2-fluoro-4-methylaniline is sourced from PubChem (CID 159859680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).