4-fluoro-5-iodo-2-(3-methyl-4-propan-2-ylphenoxy)aniline

C16H17FINO — CID 66102111

IUPAC4-fluoro-5-iodo-2-(3-methyl-4-propan-2-ylphenoxy)aniline
SMILESCc1cc(Oc2cc(F)c(I)cc2N)ccc1C(C)C
InChIInChI=1S/C16H17FINO/c1-9(2)12-5-4-11(6-10(12)3)20-16-7-13(17)14(18)8-15(16)19/h4-9H,19H2,1-3H3
InChIKeyMNASZVORSVVVDB-UHFFFAOYSA-N
MW385.22 g/mol
LogP5.24
Rot. Bonds3

About 4-fluoro-5-iodo-2-(3-methyl-4-propan-2-ylphenoxy)aniline

4-fluoro-5-iodo-2-(3-methyl-4-propan-2-ylphenoxy)aniline (PubChem CID 66102111) has the molecular formula C16H17FINO and a molecular weight of 385.22 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-(3-methyl-4-propan-2-ylphenoxy)aniline.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-(3-methyl-4-propan-2-ylphenoxy)aniline
PubChem CID66102111
Molecular FormulaC16H17FINO
Molecular Weight385.22 g/mol
Exact Mass385.03
IUPAC Name4-fluoro-5-iodo-2-(3-methyl-4-propan-2-ylphenoxy)aniline
SMILESCc1cc(Oc2cc(F)c(I)cc2N)ccc1C(C)C
InChIInChI=1S/C16H17FINO/c1-9(2)12-5-4-11(6-10(12)3)20-16-7-13(17)14(18)8-15(16)19/h4-9H,19H2,1-3H3
InChIKeyMNASZVORSVVVDB-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'}

Analyze 4-fluoro-5-iodo-2-(3-methyl-4-propan-2-ylphenoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 103590913
4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline
CID 66101916
1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene
CID 177076482
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 115469223
5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 43349562
4-fluoro-5-iodo-2-(3-methylphenoxy)aniline
CID 66100148
3-fluoro-4-(3-methyl-4-propan-2-ylphenoxy)benzonitrile
CID 43657439
2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline
CID 104706508
4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792433
4-fluoro-5-iodo-2-[3-(trifluoromethyl)phenoxy]aniline
CID 66100551
2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine
CID 63815601
3-(2-amino-5-fluoro-4-iodophenoxy)benzonitrile
CID 66102313

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-(3-methyl-4-propan-2-ylphenoxy)aniline?
The IUPAC name of 4-fluoro-5-iodo-2-(3-methyl-4-propan-2-ylphenoxy)aniline (CID 66102111) is 4-fluoro-5-iodo-2-(3-methyl-4-propan-2-ylphenoxy)aniline.
What is the SMILES notation for 4-fluoro-5-iodo-2-(3-methyl-4-propan-2-ylphenoxy)aniline?
The canonical SMILES for 4-fluoro-5-iodo-2-(3-methyl-4-propan-2-ylphenoxy)aniline is Cc1cc(Oc2cc(F)c(I)cc2N)ccc1C(C)C.
What is the InChIKey of 4-fluoro-5-iodo-2-(3-methyl-4-propan-2-ylphenoxy)aniline?
The InChIKey is MNASZVORSVVVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FINO/c1-9(2)12-5-4-11(6-10(12)3)20-16-7-13(17)14(18)8-15(16)19/h4-9H,19H2,1-3H3.
What are the key properties of 4-fluoro-5-iodo-2-(3-methyl-4-propan-2-ylphenoxy)aniline?
4-fluoro-5-iodo-2-(3-methyl-4-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-(3-methyl-4-propan-2-ylphenoxy)aniline is sourced from PubChem (CID 66102111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).