2-[3-(2-iodophenoxy)phenyl]ethanamine

C14H14INO — CID 63941765

IUPAC2-[3-(2-iodophenoxy)phenyl]ethanamine
SMILESNCCc1cccc(Oc2ccccc2I)c1
InChIInChI=1S/C14H14INO/c15-13-6-1-2-7-14(13)17-12-5-3-4-11(10-12)8-9-16/h1-7,10H,8-9,16H2
InChIKeyFEJTVIRTMZLKGI-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.58
Rot. Bonds4

About 2-[3-(2-iodophenoxy)phenyl]ethanamine

2-[3-(2-iodophenoxy)phenyl]ethanamine (PubChem CID 63941765) has the molecular formula C14H14INO and a molecular weight of 339.18 g/mol. Its IUPAC name is 2-[3-(2-iodophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-iodophenoxy)phenyl]ethanamine
PubChem CID63941765
Molecular FormulaC14H14INO
Molecular Weight339.18 g/mol
Exact Mass339.01
IUPAC Name2-[3-(2-iodophenoxy)phenyl]ethanamine
SMILESNCCc1cccc(Oc2ccccc2I)c1
InChIInChI=1S/C14H14INO/c15-13-6-1-2-7-14(13)17-12-5-3-4-11(10-12)8-9-16/h1-7,10H,8-9,16H2
InChIKeyFEJTVIRTMZLKGI-UHFFFAOYSA-N
XLogP3.58
TPSA35.25 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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[3-(2-iodophenoxy)phenyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-iodophenoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-(2-iodophenoxy)phenyl]ethanamine (CID 63941765) is 2-[3-(2-iodophenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(2-iodophenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-(2-iodophenoxy)phenyl]ethanamine is NCCc1cccc(Oc2ccccc2I)c1.
What is the InChIKey of 2-[3-(2-iodophenoxy)phenyl]ethanamine?
The InChIKey is FEJTVIRTMZLKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO/c15-13-6-1-2-7-14(13)17-12-5-3-4-11(10-12)8-9-16/h1-7,10H,8-9,16H2.
What are the key properties of 2-[3-(2-iodophenoxy)phenyl]ethanamine?
2-[3-(2-iodophenoxy)phenyl]ethanamine has a molecular weight of 339.18 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-iodophenoxy)phenyl]ethanamine is sourced from PubChem (CID 63941765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).