2-[(4-iodophenyl)methoxy]aniline

C13H12INO — CID 65498771

IUPAC2-[(4-iodophenyl)methoxy]aniline
SMILESNc1ccccc1OCc1ccc(I)cc1
InChIInChI=1S/C13H12INO/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-8H,9,15H2
InChIKeyRSNWJJNUPLEHBJ-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.45
Rot. Bonds3

About 2-[(4-iodophenyl)methoxy]aniline

2-[(4-iodophenyl)methoxy]aniline (PubChem CID 65498771) has the molecular formula C13H12INO and a molecular weight of 325.15 g/mol. Its IUPAC name is 2-[(4-iodophenyl)methoxy]aniline.

Molecular Properties

Compound Name2-[(4-iodophenyl)methoxy]aniline
PubChem CID65498771
Molecular FormulaC13H12INO
Molecular Weight325.15 g/mol
Exact Mass325.00
IUPAC Name2-[(4-iodophenyl)methoxy]aniline
SMILESNc1ccccc1OCc1ccc(I)cc1
InChIInChI=1S/C13H12INO/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-8H,9,15H2
InChIKeyRSNWJJNUPLEHBJ-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.45
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodophenyl)methoxy]aniline?
The IUPAC name of 2-[(4-iodophenyl)methoxy]aniline (CID 65498771) is 2-[(4-iodophenyl)methoxy]aniline.
What is the SMILES notation for 2-[(4-iodophenyl)methoxy]aniline?
The canonical SMILES for 2-[(4-iodophenyl)methoxy]aniline is Nc1ccccc1OCc1ccc(I)cc1.
What is the InChIKey of 2-[(4-iodophenyl)methoxy]aniline?
The InChIKey is RSNWJJNUPLEHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-8H,9,15H2.
What are the key properties of 2-[(4-iodophenyl)methoxy]aniline?
2-[(4-iodophenyl)methoxy]aniline has a molecular weight of 325.15 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodophenyl)methoxy]aniline is sourced from PubChem (CID 65498771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).