4-[2-(2-iodophenoxy)ethyl]aniline

C14H14INO — CID 43519777

IUPAC4-[2-(2-iodophenoxy)ethyl]aniline
SMILESNc1ccc(CCOc2ccccc2I)cc1
InChIInChI=1S/C14H14INO/c15-13-3-1-2-4-14(13)17-10-9-11-5-7-12(16)8-6-11/h1-8H,9-10,16H2
InChIKeyJDZXFOHKZOFFKY-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.49
Rot. Bonds4

About 4-[2-(2-iodophenoxy)ethyl]aniline

4-[2-(2-iodophenoxy)ethyl]aniline (PubChem CID 43519777) has the molecular formula C14H14INO and a molecular weight of 339.18 g/mol. Its IUPAC name is 4-[2-(2-iodophenoxy)ethyl]aniline.

Molecular Properties

Compound Name4-[2-(2-iodophenoxy)ethyl]aniline
PubChem CID43519777
Molecular FormulaC14H14INO
Molecular Weight339.18 g/mol
Exact Mass339.01
IUPAC Name4-[2-(2-iodophenoxy)ethyl]aniline
SMILESNc1ccc(CCOc2ccccc2I)cc1
InChIInChI=1S/C14H14INO/c15-13-3-1-2-4-14(13)17-10-9-11-5-7-12(16)8-6-11/h1-8H,9-10,16H2
InChIKeyJDZXFOHKZOFFKY-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-[2-(2-iodophenoxy)ethyl]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

4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 82092333
1-(3-chloropropoxy)-2-iodobenzene
CID 43479699
3-[(2-iodophenoxy)methyl]aniline
CID 43479605
6-[2-(4-fluorophenyl)ethoxy]pyridin-3-amine
CID 20535524
1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine
CID 62139197
3-(2-iodophenoxy)propanal
CID 63039119
1-heptoxy-2-iodobenzene
CID 63530624
2-chloro-3-(2-phenylethoxy)aniline
CID 140509914
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
2-[4-[2-(2-iodophenoxy)ethoxy]phenyl]acetic acid
CID 63074837
1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol
CID 62268837
1-iodo-2-[(4-methylphenyl)methoxy]benzene
CID 63530114

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-iodophenoxy)ethyl]aniline?
The IUPAC name of 4-[2-(2-iodophenoxy)ethyl]aniline (CID 43519777) is 4-[2-(2-iodophenoxy)ethyl]aniline.
What is the SMILES notation for 4-[2-(2-iodophenoxy)ethyl]aniline?
The canonical SMILES for 4-[2-(2-iodophenoxy)ethyl]aniline is Nc1ccc(CCOc2ccccc2I)cc1.
What is the InChIKey of 4-[2-(2-iodophenoxy)ethyl]aniline?
The InChIKey is JDZXFOHKZOFFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO/c15-13-3-1-2-4-14(13)17-10-9-11-5-7-12(16)8-6-11/h1-8H,9-10,16H2.
What are the key properties of 4-[2-(2-iodophenoxy)ethyl]aniline?
4-[2-(2-iodophenoxy)ethyl]aniline has a molecular weight of 339.18 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-iodophenoxy)ethyl]aniline is sourced from PubChem (CID 43519777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).