4-[(4-iodophenyl)methoxy]-N-methylaniline

C14H14INO — CID 65477722

IUPAC4-[(4-iodophenyl)methoxy]-N-methylaniline
SMILESCNc1ccc(OCc2ccc(I)cc2)cc1
InChIInChI=1S/C14H14INO/c1-16-13-6-8-14(9-7-13)17-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3
InChIKeyRUXUALVKPKTCFX-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.91
Rot. Bonds4

About 4-[(4-iodophenyl)methoxy]-N-methylaniline

4-[(4-iodophenyl)methoxy]-N-methylaniline (PubChem CID 65477722) has the molecular formula C14H14INO and a molecular weight of 339.18 g/mol. Its IUPAC name is 4-[(4-iodophenyl)methoxy]-N-methylaniline.

Molecular Properties

Compound Name4-[(4-iodophenyl)methoxy]-N-methylaniline
PubChem CID65477722
Molecular FormulaC14H14INO
Molecular Weight339.18 g/mol
Exact Mass339.01
IUPAC Name4-[(4-iodophenyl)methoxy]-N-methylaniline
SMILESCNc1ccc(OCc2ccc(I)cc2)cc1
InChIInChI=1S/C14H14INO/c1-16-13-6-8-14(9-7-13)17-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3
InChIKeyRUXUALVKPKTCFX-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenyl)methoxy]-N-methylaniline?
The IUPAC name of 4-[(4-iodophenyl)methoxy]-N-methylaniline (CID 65477722) is 4-[(4-iodophenyl)methoxy]-N-methylaniline.
What is the SMILES notation for 4-[(4-iodophenyl)methoxy]-N-methylaniline?
The canonical SMILES for 4-[(4-iodophenyl)methoxy]-N-methylaniline is CNc1ccc(OCc2ccc(I)cc2)cc1.
What is the InChIKey of 4-[(4-iodophenyl)methoxy]-N-methylaniline?
The InChIKey is RUXUALVKPKTCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO/c1-16-13-6-8-14(9-7-13)17-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3.
What are the key properties of 4-[(4-iodophenyl)methoxy]-N-methylaniline?
4-[(4-iodophenyl)methoxy]-N-methylaniline has a molecular weight of 339.18 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenyl)methoxy]-N-methylaniline is sourced from PubChem (CID 65477722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).