2-(3-iodophenoxy)-3-methylaniline

C13H12INO — CID 115550908

IUPAC2-(3-iodophenoxy)-3-methylaniline
SMILESCc1cccc(N)c1Oc1cccc(I)c1
InChIInChI=1S/C13H12INO/c1-9-4-2-7-12(15)13(9)16-11-6-3-5-10(14)8-11/h2-8H,15H2,1H3
InChIKeyOQJFMUVUIPGMDJ-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.97
Rot. Bonds2

About 2-(3-iodophenoxy)-3-methylaniline

2-(3-iodophenoxy)-3-methylaniline (PubChem CID 115550908) has the molecular formula C13H12INO and a molecular weight of 325.15 g/mol. Its IUPAC name is 2-(3-iodophenoxy)-3-methylaniline.

Molecular Properties

Compound Name2-(3-iodophenoxy)-3-methylaniline
PubChem CID115550908
Molecular FormulaC13H12INO
Molecular Weight325.15 g/mol
Exact Mass325.00
IUPAC Name2-(3-iodophenoxy)-3-methylaniline
SMILESCc1cccc(N)c1Oc1cccc(I)c1
InChIInChI=1S/C13H12INO/c1-9-4-2-7-12(15)13(9)16-11-6-3-5-10(14)8-11/h2-8H,15H2,1H3
InChIKeyOQJFMUVUIPGMDJ-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.97
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-(3-fluorophenoxy)-3-methylaniline
CID 115550847
[3-(2-amino-6-methylphenoxy)phenyl]methanol
CID 115550948
1,3,5-triiodo-2-(3-iodophenoxy)benzene
CID 154130113
2-(2,5-dimethylphenoxy)-3-methylaniline
CID 115550838
3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline
CID 115550906
3-methyl-2-(4-propylphenoxy)aniline
CID 115550956
1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494556
5-(3-iodophenoxy)-2-methyl-1,3-benzothiazol-6-amine
CID 43450725
5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine
CID 104507301
3-methyl-2-(2,4,5-trichlorophenoxy)aniline
CID 113333818
2-chloro-4-(3-iodophenoxy)-5-methylpyridine
CID 83267091
3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline
CID 115550991

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenoxy)-3-methylaniline?
The IUPAC name of 2-(3-iodophenoxy)-3-methylaniline (CID 115550908) is 2-(3-iodophenoxy)-3-methylaniline.
What is the SMILES notation for 2-(3-iodophenoxy)-3-methylaniline?
The canonical SMILES for 2-(3-iodophenoxy)-3-methylaniline is Cc1cccc(N)c1Oc1cccc(I)c1.
What is the InChIKey of 2-(3-iodophenoxy)-3-methylaniline?
The InChIKey is OQJFMUVUIPGMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO/c1-9-4-2-7-12(15)13(9)16-11-6-3-5-10(14)8-11/h2-8H,15H2,1H3.
What are the key properties of 2-(3-iodophenoxy)-3-methylaniline?
2-(3-iodophenoxy)-3-methylaniline has a molecular weight of 325.15 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenoxy)-3-methylaniline is sourced from PubChem (CID 115550908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).