2-ethoxy-4-(2-iodophenoxy)aniline

C14H14INO2 — CID 63675223

IUPAC2-ethoxy-4-(2-iodophenoxy)aniline
SMILESCCOc1cc(Oc2ccccc2I)ccc1N
InChIInChI=1S/C14H14INO2/c1-2-17-14-9-10(7-8-12(14)16)18-13-6-4-3-5-11(13)15/h3-9H,2,16H2,1H3
InChIKeyWGWCKMHHYZJJHU-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.06
Rot. Bonds4

About 2-ethoxy-4-(2-iodophenoxy)aniline

2-ethoxy-4-(2-iodophenoxy)aniline (PubChem CID 63675223) has the molecular formula C14H14INO2 and a molecular weight of 355.18 g/mol. Its IUPAC name is 2-ethoxy-4-(2-iodophenoxy)aniline.

Molecular Properties

Compound Name2-ethoxy-4-(2-iodophenoxy)aniline
PubChem CID63675223
Molecular FormulaC14H14INO2
Molecular Weight355.18 g/mol
Exact Mass355.01
IUPAC Name2-ethoxy-4-(2-iodophenoxy)aniline
SMILESCCOc1cc(Oc2ccccc2I)ccc1N
InChIInChI=1S/C14H14INO2/c1-2-17-14-9-10(7-8-12(14)16)18-13-6-4-3-5-11(13)15/h3-9H,2,16H2,1H3
InChIKeyWGWCKMHHYZJJHU-UHFFFAOYSA-N
XLogP4.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol
CID 107712098
2-ethoxy-4-(4-methoxyphenoxy)aniline
CID 63675944
4-(3,4-dimethylphenoxy)-2-ethoxyaniline
CID 63676735
4-(3,5-dimethylphenoxy)-2-ethoxyaniline
CID 63676933
4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline
CID 63676750
4-(2,4-dichlorophenoxy)-2-ethoxyaniline
CID 63675211
2-ethoxy-4-(4-propylphenoxy)aniline
CID 63675228
2-ethoxy-4-propoxyaniline
CID 63677806
4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline
CID 63676742
4-(4-ethoxyphenoxy)-2-propoxyaniline
CID 63676127
2-ethoxy-4-(4-methylsulfonylphenoxy)aniline
CID 63676144
2-ethoxy-4-quinolin-7-yloxyaniline
CID 107313220

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(2-iodophenoxy)aniline?
The IUPAC name of 2-ethoxy-4-(2-iodophenoxy)aniline (CID 63675223) is 2-ethoxy-4-(2-iodophenoxy)aniline.
What is the SMILES notation for 2-ethoxy-4-(2-iodophenoxy)aniline?
The canonical SMILES for 2-ethoxy-4-(2-iodophenoxy)aniline is CCOc1cc(Oc2ccccc2I)ccc1N.
What is the InChIKey of 2-ethoxy-4-(2-iodophenoxy)aniline?
The InChIKey is WGWCKMHHYZJJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO2/c1-2-17-14-9-10(7-8-12(14)16)18-13-6-4-3-5-11(13)15/h3-9H,2,16H2,1H3.
What are the key properties of 2-ethoxy-4-(2-iodophenoxy)aniline?
2-ethoxy-4-(2-iodophenoxy)aniline has a molecular weight of 355.18 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(2-iodophenoxy)aniline is sourced from PubChem (CID 63675223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).