4-[4-(2-aminoethyl)phenoxy]-2,6-diiodophenol;hydrochloride

C14H14ClI2NO2 — CID 11497243

IUPAC4-[4-(2-aminoethyl)phenoxy]-2,6-diiodophenol;hydrochloride
SMILESCl.NCCc1ccc(Oc2cc(I)c(O)c(I)c2)cc1
InChIInChI=1S/C14H13I2NO2.ClH/c15-12-7-11(8-13(16)14(12)18)19-10-3-1-9(2-4-10)5-6-17;/h1-4,7-8,18H,5-6,17H2;1H
InChIKeyFYWAYVJYUCRMJH-UHFFFAOYSA-N
MW517.53 g/mol
LogP4.32
Rot. Bonds4

About 4-[4-(2-aminoethyl)phenoxy]-2,6-diiodophenol;hydrochloride

4-[4-(2-aminoethyl)phenoxy]-2,6-diiodophenol;hydrochloride (PubChem CID 11497243) has the molecular formula C14H14ClI2NO2 and a molecular weight of 517.53 g/mol. Its IUPAC name is 4-[4-(2-aminoethyl)phenoxy]-2,6-diiodophenol;hydrochloride.

Molecular Properties

Compound Name4-[4-(2-aminoethyl)phenoxy]-2,6-diiodophenol;hydrochloride
PubChem CID11497243
Molecular FormulaC14H14ClI2NO2
Molecular Weight517.53 g/mol
Exact Mass516.88
IUPAC Name4-[4-(2-aminoethyl)phenoxy]-2,6-diiodophenol;hydrochloride
SMILESCl.NCCc1ccc(Oc2cc(I)c(O)c(I)c2)cc1
InChIInChI=1S/C14H13I2NO2.ClH/c15-12-7-11(8-13(16)14(12)18)19-10-3-1-9(2-4-10)5-6-17;/h1-4,7-8,18H,5-6,17H2;1H
InChIKeyFYWAYVJYUCRMJH-UHFFFAOYSA-N
XLogP4.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.53
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(aminomethyl)phenoxy]-2,6-diiodophenol
CID 155040115
4-[4-(2-aminoethyl)-2,6-diiodophenoxy]-2,6-diiodophenol
CID 3080596
2-[4-(4-methylphenoxy)phenyl]ethanamine
CID 20985599
2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine
CID 107726956
(2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)phenyl]propanoic acid
CID 67894139
4-(2-aminoethyl)phenol;(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
CID 157121192
2-[4-(4-methylsulfanylphenoxy)phenyl]ethanamine
CID 63801985
[3-[4-(4-hydroxy-3,5-diiodophenoxy)phenyl]-1-methoxy-1-oxopropan-2-yl]azanium;methane
CID 158109254
2-azaniumyl-3-[4-(4-hydroxy-3,5-diiodophenoxy)phenyl]propanoate
CID 58185738
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
2-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 55239141
2-[4-(3-methoxy-5-nitrophenoxy)phenyl]ethanamine
CID 80742831

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethyl)phenoxy]-2,6-diiodophenol;hydrochloride?
The IUPAC name of 4-[4-(2-aminoethyl)phenoxy]-2,6-diiodophenol;hydrochloride (CID 11497243) is 4-[4-(2-aminoethyl)phenoxy]-2,6-diiodophenol;hydrochloride.
What is the SMILES notation for 4-[4-(2-aminoethyl)phenoxy]-2,6-diiodophenol;hydrochloride?
The canonical SMILES for 4-[4-(2-aminoethyl)phenoxy]-2,6-diiodophenol;hydrochloride is Cl.NCCc1ccc(Oc2cc(I)c(O)c(I)c2)cc1.
What is the InChIKey of 4-[4-(2-aminoethyl)phenoxy]-2,6-diiodophenol;hydrochloride?
The InChIKey is FYWAYVJYUCRMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13I2NO2.ClH/c15-12-7-11(8-13(16)14(12)18)19-10-3-1-9(2-4-10)5-6-17;/h1-4,7-8,18H,5-6,17H2;1H.
What are the key properties of 4-[4-(2-aminoethyl)phenoxy]-2,6-diiodophenol;hydrochloride?
4-[4-(2-aminoethyl)phenoxy]-2,6-diiodophenol;hydrochloride has a molecular weight of 517.53 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethyl)phenoxy]-2,6-diiodophenol;hydrochloride is sourced from PubChem (CID 11497243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).