2-(2-fluoro-5-methylphenoxy)-5-iodoaniline

C13H11FINO — CID 66080579

IUPAC2-(2-fluoro-5-methylphenoxy)-5-iodoaniline
SMILESCc1ccc(F)c(Oc2ccc(I)cc2N)c1
InChIInChI=1S/C13H11FINO/c1-8-2-4-10(14)13(6-8)17-12-5-3-9(15)7-11(12)16/h2-7H,16H2,1H3
InChIKeyRWGOLOXWGGHXAL-UHFFFAOYSA-N
MW343.14 g/mol
LogP4.11
Rot. Bonds2

About 2-(2-fluoro-5-methylphenoxy)-5-iodoaniline

2-(2-fluoro-5-methylphenoxy)-5-iodoaniline (PubChem CID 66080579) has the molecular formula C13H11FINO and a molecular weight of 343.14 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenoxy)-5-iodoaniline.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenoxy)-5-iodoaniline
PubChem CID66080579
Molecular FormulaC13H11FINO
Molecular Weight343.14 g/mol
Exact Mass342.99
IUPAC Name2-(2-fluoro-5-methylphenoxy)-5-iodoaniline
SMILESCc1ccc(F)c(Oc2ccc(I)cc2N)c1
InChIInChI=1S/C13H11FINO/c1-8-2-4-10(14)13(6-8)17-12-5-3-9(15)7-11(12)16/h2-7H,16H2,1H3
InChIKeyRWGOLOXWGGHXAL-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

2-(2-chloro-5-methylphenoxy)-5-iodoaniline
CID 66081953
2-(2,5-difluorophenoxy)-5-methylaniline
CID 63269185
2-(2-bromo-4-methylphenoxy)-5-iodoaniline
CID 66079971
4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline
CID 64853412
2-(4-tert-butyl-2-methylphenoxy)-5-iodoaniline
CID 66080569
8-(2-fluoro-5-methylphenoxy)quinolin-5-amine
CID 64855173
1-fluoro-4-iodo-2-methoxybenzene
CID 26598241
2-(2,4-difluorophenoxy)-4-methylaniline
CID 10105468
2-(2-fluoro-5-methylphenoxy)pyridin-3-amine
CID 64855365
2-(3-bromo-4-fluorophenoxy)-5-methylaniline
CID 83231708
4-fluoro-5-iodo-2-(5-methyl-2-propan-2-ylphenoxy)aniline
CID 66101916
3-(2-fluoro-5-methylphenoxy)pyrazin-2-amine
CID 102988278

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenoxy)-5-iodoaniline?
The IUPAC name of 2-(2-fluoro-5-methylphenoxy)-5-iodoaniline (CID 66080579) is 2-(2-fluoro-5-methylphenoxy)-5-iodoaniline.
What is the SMILES notation for 2-(2-fluoro-5-methylphenoxy)-5-iodoaniline?
The canonical SMILES for 2-(2-fluoro-5-methylphenoxy)-5-iodoaniline is Cc1ccc(F)c(Oc2ccc(I)cc2N)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenoxy)-5-iodoaniline?
The InChIKey is RWGOLOXWGGHXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FINO/c1-8-2-4-10(14)13(6-8)17-12-5-3-9(15)7-11(12)16/h2-7H,16H2,1H3.
What are the key properties of 2-(2-fluoro-5-methylphenoxy)-5-iodoaniline?
2-(2-fluoro-5-methylphenoxy)-5-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 2-(2-fluoro-5-methylphenoxy)-5-iodoaniline is sourced from PubChem (CID 66080579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).