3-[(4-iodophenyl)methoxy]aniline

C13H12INO — CID 65498772

IUPAC3-[(4-iodophenyl)methoxy]aniline
SMILESNc1cccc(OCc2ccc(I)cc2)c1
InChIInChI=1S/C13H12INO/c14-11-6-4-10(5-7-11)9-16-13-3-1-2-12(15)8-13/h1-8H,9,15H2
InChIKeyODQGSEPYHDMQKZ-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.45
Rot. Bonds3

About 3-[(4-iodophenyl)methoxy]aniline

3-[(4-iodophenyl)methoxy]aniline (PubChem CID 65498772) has the molecular formula C13H12INO and a molecular weight of 325.15 g/mol. Its IUPAC name is 3-[(4-iodophenyl)methoxy]aniline.

Molecular Properties

Compound Name3-[(4-iodophenyl)methoxy]aniline
PubChem CID65498772
Molecular FormulaC13H12INO
Molecular Weight325.15 g/mol
Exact Mass325.00
IUPAC Name3-[(4-iodophenyl)methoxy]aniline
SMILESNc1cccc(OCc2ccc(I)cc2)c1
InChIInChI=1S/C13H12INO/c14-11-6-4-10(5-7-11)9-16-13-3-1-2-12(15)8-13/h1-8H,9,15H2
InChIKeyODQGSEPYHDMQKZ-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'}

Analyze 3-[(4-iodophenyl)methoxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Ethoxyaniline
CID 12120
4-Benzyloxyaniline
CID 22860
2-(o-Tolyloxy)aniline
CID 19692
3-Methoxy-4-methylaniline
CID 27882
3-Benzyloxyaniline
CID 92892
2-Benzyloxyaniline
CID 240548
Benzenamine, 4-(3-methylphenoxy)-
CID 151352
3,3'-(Pentamethylenedioxy)dianiline
CID 316507
Benzo[b][1]benzoxepin-2-amine
CID 1382017
4-(2-Phenylethoxy)aniline
CID 3026856
3-(Phenoxymethyl)aniline
CID 427435
4-(p-Tolyloxy)aniline
CID 94519

Frequently Asked Questions

What is the IUPAC name of 3-[(4-iodophenyl)methoxy]aniline?
The IUPAC name of 3-[(4-iodophenyl)methoxy]aniline (CID 65498772) is 3-[(4-iodophenyl)methoxy]aniline.
What is the SMILES notation for 3-[(4-iodophenyl)methoxy]aniline?
The canonical SMILES for 3-[(4-iodophenyl)methoxy]aniline is Nc1cccc(OCc2ccc(I)cc2)c1.
What is the InChIKey of 3-[(4-iodophenyl)methoxy]aniline?
The InChIKey is ODQGSEPYHDMQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO/c14-11-6-4-10(5-7-11)9-16-13-3-1-2-12(15)8-13/h1-8H,9,15H2.
What are the key properties of 3-[(4-iodophenyl)methoxy]aniline?
3-[(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 3-[(4-iodophenyl)methoxy]aniline is sourced from PubChem (CID 65498772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).