4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol

C15H16INO2 — CID 43124744

IUPAC4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)Nc2ccccc2I)ccc1O
InChIInChI=1S/C15H16INO2/c1-10(17-13-6-4-3-5-12(13)16)11-7-8-14(18)15(9-11)19-2/h3-10,17-18H,1-2H3
InChIKeyPEPHYWQBUOYKAT-UHFFFAOYSA-N
MW369.20 g/mol
LogP4.18
Rot. Bonds4

About 4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol

4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol (PubChem CID 43124744) has the molecular formula C15H16INO2 and a molecular weight of 369.20 g/mol. Its IUPAC name is 4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol
PubChem CID43124744
Molecular FormulaC15H16INO2
Molecular Weight369.20 g/mol
Exact Mass369.02
IUPAC Name4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)Nc2ccccc2I)ccc1O
InChIInChI=1S/C15H16INO2/c1-10(17-13-6-4-3-5-12(13)16)11-7-8-14(18)15(9-11)19-2/h3-10,17-18H,1-2H3
InChIKeyPEPHYWQBUOYKAT-UHFFFAOYSA-N
XLogP4.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 54.18
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-[1-(2-aminoanilino)ethyl]-2-methoxyphenol
CID 163482577
4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol
CID 79768643
4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
CID 106953620
2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol
CID 43193429
3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741825
4-[1-(3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 43195420
4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol
CID 83166530
4-bromo-2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]benzonitrile
CID 107797478
N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline
CID 43124742
4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol
CID 43194672
4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol
CID 102804235
2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol
CID 62304525

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol (CID 43124744) is 4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol is COc1cc(C(C)Nc2ccccc2I)ccc1O.
What is the InChIKey of 4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol?
The InChIKey is PEPHYWQBUOYKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO2/c1-10(17-13-6-4-3-5-12(13)16)11-7-8-14(18)15(9-11)19-2/h3-10,17-18H,1-2H3.
What are the key properties of 4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol?
4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol has a molecular weight of 369.20 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol is sourced from PubChem (CID 43124744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).