4-(2-fluoro-3-methylphenoxy)-3-iodoaniline

C13H11FINO — CID 107655538

IUPAC4-(2-fluoro-3-methylphenoxy)-3-iodoaniline
SMILESCc1cccc(Oc2ccc(N)cc2I)c1F
InChIInChI=1S/C13H11FINO/c1-8-3-2-4-12(13(8)14)17-11-6-5-9(16)7-10(11)15/h2-7H,16H2,1H3
InChIKeyIATHUQSQTXGFMT-UHFFFAOYSA-N
MW343.14 g/mol
LogP4.11
Rot. Bonds2

About 4-(2-fluoro-3-methylphenoxy)-3-iodoaniline

4-(2-fluoro-3-methylphenoxy)-3-iodoaniline (PubChem CID 107655538) has the molecular formula C13H11FINO and a molecular weight of 343.14 g/mol. Its IUPAC name is 4-(2-fluoro-3-methylphenoxy)-3-iodoaniline.

Molecular Properties

Compound Name4-(2-fluoro-3-methylphenoxy)-3-iodoaniline
PubChem CID107655538
Molecular FormulaC13H11FINO
Molecular Weight343.14 g/mol
Exact Mass342.99
IUPAC Name4-(2-fluoro-3-methylphenoxy)-3-iodoaniline
SMILESCc1cccc(Oc2ccc(N)cc2I)c1F
InChIInChI=1S/C13H11FINO/c1-8-3-2-4-12(13(8)14)17-11-6-5-9(16)7-10(11)15/h2-7H,16H2,1H3
InChIKeyIATHUQSQTXGFMT-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.14
LogP ≤ 54.11
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-(2,4-dimethylphenoxy)-3-iodoaniline
CID 66094612
4-amino-2-(2-fluoro-3-methylphenoxy)benzoic acid
CID 107660000
4-(4-fluorophenoxy)-3-iodoaniline
CID 66092753
4-(2-chloro-4-methylphenoxy)-3-iodoaniline
CID 66094007
2-[2-(4-amino-2-iodophenoxy)phenyl]ethanol
CID 107712058
4-(4-amino-2-iodophenoxy)-3,5-dimethylbenzonitrile
CID 66095649
2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline
CID 107655528
4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline
CID 113443529
4-(2-iodophenoxy)-3-(trifluoromethyl)aniline
CID 55191480
1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine
CID 107661710
2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide
CID 107655417
(1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine
CID 107658794

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methylphenoxy)-3-iodoaniline?
The IUPAC name of 4-(2-fluoro-3-methylphenoxy)-3-iodoaniline (CID 107655538) is 4-(2-fluoro-3-methylphenoxy)-3-iodoaniline.
What is the SMILES notation for 4-(2-fluoro-3-methylphenoxy)-3-iodoaniline?
The canonical SMILES for 4-(2-fluoro-3-methylphenoxy)-3-iodoaniline is Cc1cccc(Oc2ccc(N)cc2I)c1F.
What is the InChIKey of 4-(2-fluoro-3-methylphenoxy)-3-iodoaniline?
The InChIKey is IATHUQSQTXGFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FINO/c1-8-3-2-4-12(13(8)14)17-11-6-5-9(16)7-10(11)15/h2-7H,16H2,1H3.
What are the key properties of 4-(2-fluoro-3-methylphenoxy)-3-iodoaniline?
4-(2-fluoro-3-methylphenoxy)-3-iodoaniline has a molecular weight of 343.14 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methylphenoxy)-3-iodoaniline is sourced from PubChem (CID 107655538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).