4-[(4-iodophenyl)methoxy]-N,N-dimethyl(125I)aniline

C15H16INO — CID 118707550

IUPAC4-[(4-iodophenyl)methoxy]-N,N-dimethyl(125I)aniline
SMILESCN(C)c1ccc(OCc2ccc([125I])cc2)cc1
InChIInChI=1S/C15H16INO/c1-17(2)14-7-9-15(10-8-14)18-11-12-3-5-13(16)6-4-12/h3-10H,11H2,1-2H3/i16-2
InChIKeyMQFXILUKPVTRRK-RFLHHMENSA-N
MW351.20 g/mol
LogP3.94
Rot. Bonds4

About 4-[(4-iodophenyl)methoxy]-N,N-dimethyl(125I)aniline

4-[(4-iodophenyl)methoxy]-N,N-dimethyl(125I)aniline (PubChem CID 118707550) has the molecular formula C15H16INO and a molecular weight of 351.20 g/mol. Its IUPAC name is 4-[(4-iodophenyl)methoxy]-N,N-dimethyl(125I)aniline.

Molecular Properties

Compound Name4-[(4-iodophenyl)methoxy]-N,N-dimethyl(125I)aniline
PubChem CID118707550
Molecular FormulaC15H16INO
Molecular Weight351.20 g/mol
Exact Mass351.03
IUPAC Name4-[(4-iodophenyl)methoxy]-N,N-dimethyl(125I)aniline
SMILESCN(C)c1ccc(OCc2ccc([125I])cc2)cc1
InChIInChI=1S/C15H16INO/c1-17(2)14-7-9-15(10-8-14)18-11-12-3-5-13(16)6-4-12/h3-10H,11H2,1-2H3/i16-2
InChIKeyMQFXILUKPVTRRK-RFLHHMENSA-N
XLogP3.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.94
H-Bond Donors ≤ 50
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,N-dimethyl(125I)aniline?
The IUPAC name of 4-[(4-iodophenyl)methoxy]-N,N-dimethyl(125I)aniline (CID 118707550) is 4-[(4-iodophenyl)methoxy]-N,N-dimethyl(125I)aniline.
What is the SMILES notation for 4-[(4-iodophenyl)methoxy]-N,N-dimethyl(125I)aniline?
The canonical SMILES for 4-[(4-iodophenyl)methoxy]-N,N-dimethyl(125I)aniline is CN(C)c1ccc(OCc2ccc([125I])cc2)cc1.
What is the InChIKey of 4-[(4-iodophenyl)methoxy]-N,N-dimethyl(125I)aniline?
The InChIKey is MQFXILUKPVTRRK-RFLHHMENSA-N. The full InChI is InChI=1S/C15H16INO/c1-17(2)14-7-9-15(10-8-14)18-11-12-3-5-13(16)6-4-12/h3-10H,11H2,1-2H3/i16-2.
What are the key properties of 4-[(4-iodophenyl)methoxy]-N,N-dimethyl(125I)aniline?
4-[(4-iodophenyl)methoxy]-N,N-dimethyl(125I)aniline has a molecular weight of 351.20 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenyl)methoxy]-N,N-dimethyl(125I)aniline is sourced from PubChem (CID 118707550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).