4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol;hydrochloride

C15H17ClINO2 — CID 11689968

IUPAC4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol;hydrochloride
SMILESCNCCc1ccc(Oc2ccc(O)cc2)c(I)c1.Cl
InChIInChI=1S/C15H16INO2.ClH/c1-17-9-8-11-2-7-15(14(16)10-11)19-13-5-3-12(18)4-6-13;/h2-7,10,17-18H,8-9H2,1H3;1H
InChIKeyNONKEEQMVWRJNR-UHFFFAOYSA-N
MW405.66 g/mol
LogP3.97
Rot. Bonds5

About 4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol;hydrochloride

4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol;hydrochloride (PubChem CID 11689968) has the molecular formula C15H17ClINO2 and a molecular weight of 405.66 g/mol. Its IUPAC name is 4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol;hydrochloride.

Molecular Properties

Compound Name4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol;hydrochloride
PubChem CID11689968
Molecular FormulaC15H17ClINO2
Molecular Weight405.66 g/mol
Exact Mass405.00
IUPAC Name4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol;hydrochloride
SMILESCNCCc1ccc(Oc2ccc(O)cc2)c(I)c1.Cl
InChIInChI=1S/C15H16INO2.ClH/c1-17-9-8-11-2-7-15(14(16)10-11)19-13-5-3-12(18)4-6-13;/h2-7,10,17-18H,8-9H2,1H3;1H
InChIKeyNONKEEQMVWRJNR-UHFFFAOYSA-N
XLogP3.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.66
LogP ≤ 53.97
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

N-[2-[4-(4-hydroxyphenoxy)-3-iodophenyl]ethyl]acetamide
CID 102457343
4-[4-[2-(methylamino)ethyl]phenoxy]phenol
CID 11514269
(2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanamide
CID 127256924
2-azaniumyl-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanoate
CID 58185740
2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol
CID 107708403
methyl 2-[3-iodo-4-[4-(methoxymethoxy)phenoxy]phenyl]acetate
CID 11568117
4-[(4-hydroxyphenyl)methyl]-2,6-diiodophenol
CID 54004873
4-[2,6-diiodo-4-(2-methylpropyl)phenoxy]phenol
CID 23386461
2-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]-5-[2-(4-hydroxyphenyl)ethyl]phenol
CID 172871207
fluoro-methyl-tritio-λ3-iodane;4-[2-(methylamino)ethyl]benzene-1,2-diol
CID 158050846
4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol
CID 61239059
4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol
CID 82257346

Frequently Asked Questions

What is the IUPAC name of 4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol;hydrochloride?
The IUPAC name of 4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol;hydrochloride (CID 11689968) is 4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol;hydrochloride.
What is the SMILES notation for 4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol;hydrochloride?
The canonical SMILES for 4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol;hydrochloride is CNCCc1ccc(Oc2ccc(O)cc2)c(I)c1.Cl.
What is the InChIKey of 4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol;hydrochloride?
The InChIKey is NONKEEQMVWRJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO2.ClH/c1-17-9-8-11-2-7-15(14(16)10-11)19-13-5-3-12(18)4-6-13;/h2-7,10,17-18H,8-9H2,1H3;1H.
What are the key properties of 4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol;hydrochloride?
4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol;hydrochloride has a molecular weight of 405.66 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol;hydrochloride is sourced from PubChem (CID 11689968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).