3-[3-(4-aminophenoxy)-2-iodophenoxy]aniline

C18H15IN2O2 — CID 118976058

IUPAC3-[3-(4-aminophenoxy)-2-iodophenoxy]aniline
SMILESNc1ccc(Oc2cccc(Oc3cccc(N)c3)c2I)cc1
InChIInChI=1S/C18H15IN2O2/c19-18-16(22-14-9-7-12(20)8-10-14)5-2-6-17(18)23-15-4-1-3-13(21)11-15/h1-11H,20-21H2
InChIKeySSHARKUKTSYDBJ-UHFFFAOYSA-N
MW418.23 g/mol
LogP5.04
Rot. Bonds4

About 3-[3-(4-aminophenoxy)-2-iodophenoxy]aniline

3-[3-(4-aminophenoxy)-2-iodophenoxy]aniline (PubChem CID 118976058) has the molecular formula C18H15IN2O2 and a molecular weight of 418.23 g/mol. Its IUPAC name is 3-[3-(4-aminophenoxy)-2-iodophenoxy]aniline.

Molecular Properties

Compound Name3-[3-(4-aminophenoxy)-2-iodophenoxy]aniline
PubChem CID118976058
Molecular FormulaC18H15IN2O2
Molecular Weight418.23 g/mol
Exact Mass418.02
IUPAC Name3-[3-(4-aminophenoxy)-2-iodophenoxy]aniline
SMILESNc1ccc(Oc2cccc(Oc3cccc(N)c3)c2I)cc1
InChIInChI=1S/C18H15IN2O2/c19-18-16(22-14-9-7-12(20)8-10-14)5-2-6-17(18)23-15-4-1-3-13(21)11-15/h1-11H,20-21H2
InChIKeySSHARKUKTSYDBJ-UHFFFAOYSA-N
XLogP5.04
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.23
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338441
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline
CID 67120556
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
4-[2-(4-aminophenoxy)phenoxy]aniline
CID 15373719
3-(3-phenoxyphenoxy)aniline
CID 68727404
3-[3-[3-[3-[3-(3-aminophenoxy)phenoxy]-2-ethylphenoxy]-2-ethylphenoxy]phenoxy]aniline
CID 22338395

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-aminophenoxy)-2-iodophenoxy]aniline?
The IUPAC name of 3-[3-(4-aminophenoxy)-2-iodophenoxy]aniline (CID 118976058) is 3-[3-(4-aminophenoxy)-2-iodophenoxy]aniline.
What is the SMILES notation for 3-[3-(4-aminophenoxy)-2-iodophenoxy]aniline?
The canonical SMILES for 3-[3-(4-aminophenoxy)-2-iodophenoxy]aniline is Nc1ccc(Oc2cccc(Oc3cccc(N)c3)c2I)cc1.
What is the InChIKey of 3-[3-(4-aminophenoxy)-2-iodophenoxy]aniline?
The InChIKey is SSHARKUKTSYDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15IN2O2/c19-18-16(22-14-9-7-12(20)8-10-14)5-2-6-17(18)23-15-4-1-3-13(21)11-15/h1-11H,20-21H2.
What are the key properties of 3-[3-(4-aminophenoxy)-2-iodophenoxy]aniline?
3-[3-(4-aminophenoxy)-2-iodophenoxy]aniline has a molecular weight of 418.23 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-aminophenoxy)-2-iodophenoxy]aniline is sourced from PubChem (CID 118976058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).