4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline

C16H17FINO — CID 66101916

IUPAC4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline
SMILESCc1ccc(C(C)C)c(Oc2cc(F)c(I)cc2N)c1
InChIInChI=1S/C16H17FINO/c1-9(2)11-5-4-10(3)6-15(11)20-16-7-12(17)13(18)8-14(16)19/h4-9H,19H2,1-3H3
InChIKeyDWYFYDIPMHLQCF-UHFFFAOYSA-N
MW385.22 g/mol
LogP5.24
Rot. Bonds3

About 4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline

4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline (PubChem CID 66101916) has the molecular formula C16H17FINO and a molecular weight of 385.22 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline
PubChem CID66101916
Molecular FormulaC16H17FINO
Molecular Weight385.22 g/mol
Exact Mass385.03
IUPAC Name4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline
SMILESCc1ccc(C(C)C)c(Oc2cc(F)c(I)cc2N)c1
InChIInChI=1S/C16H17FINO/c1-9(2)11-5-4-10(3)6-15(11)20-16-7-12(17)13(18)8-14(16)19/h4-9H,19H2,1-3H3
InChIKeyDWYFYDIPMHLQCF-UHFFFAOYSA-N
XLogP5.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.22
LogP ≤ 55.24
H-Bond Donors ≤ 51
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

4-fluoro-5-iodo-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 66102111
4-fluoro-5-iodo-2-(3-methylphenoxy)aniline
CID 66100148
3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarbothioamide
CID 43658038
6-methyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
CID 79021239
3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)benzonitrile
CID 43657438
2-(2-fluoro-5-methylphenoxy)-5-iodoaniline
CID 66080579
2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline
CID 66100344
1-[3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-N-methylmethanamine
CID 43282865
2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline
CID 104706508
5-(chloromethyl)-1,3-difluoro-2-(5-methyl-2-propan-2-ylphenoxy)benzene
CID 63567841
5-amino-2-(5-methyl-2-propan-2-ylphenoxy)benzonitrile
CID 61296742
6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80864015

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline?
The IUPAC name of 4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline (CID 66101916) is 4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline.
What is the SMILES notation for 4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline?
The canonical SMILES for 4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline is Cc1ccc(C(C)C)c(Oc2cc(F)c(I)cc2N)c1.
What is the InChIKey of 4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline?
The InChIKey is DWYFYDIPMHLQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FINO/c1-9(2)11-5-4-10(3)6-15(11)20-16-7-12(17)13(18)8-14(16)19/h4-9H,19H2,1-3H3.
What are the key properties of 4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline?
4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline has a molecular weight of 385.22 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline is sourced from PubChem (CID 66101916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).