4-[(2-iodoanilino)methyl]-2-methoxyphenol

C14H14INO2 — CID 28978282

IUPAC4-[(2-iodoanilino)methyl]-2-methoxyphenol
SMILESCOc1cc(CNc2ccccc2I)ccc1O
InChIInChI=1S/C14H14INO2/c1-18-14-8-10(6-7-13(14)17)9-16-12-5-3-2-4-11(12)15/h2-8,16-17H,9H2,1H3
InChIKeyAZPYARYZWUBSPI-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.62
Rot. Bonds4

About 4-[(2-iodoanilino)methyl]-2-methoxyphenol

4-[(2-iodoanilino)methyl]-2-methoxyphenol (PubChem CID 28978282) has the molecular formula C14H14INO2 and a molecular weight of 355.18 g/mol. Its IUPAC name is 4-[(2-iodoanilino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(2-iodoanilino)methyl]-2-methoxyphenol
PubChem CID28978282
Molecular FormulaC14H14INO2
Molecular Weight355.18 g/mol
Exact Mass355.01
IUPAC Name4-[(2-iodoanilino)methyl]-2-methoxyphenol
SMILESCOc1cc(CNc2ccccc2I)ccc1O
InChIInChI=1S/C14H14INO2/c1-18-14-8-10(6-7-13(14)17)9-16-12-5-3-2-4-11(12)15/h2-8,16-17H,9H2,1H3
InChIKeyAZPYARYZWUBSPI-UHFFFAOYSA-N
XLogP3.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.62
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-[(2-iodoanilino)methyl]benzene-1,2-diol
CID 28978220
2-(4-hydroxy-3-methoxyphenyl)-N-(2-iodophenyl)acetamide
CID 22019613
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol
CID 83320633
4-[(2-bromo-5-methylanilino)methyl]-2-methoxyphenol
CID 82762170
4-[(5-bromo-2-methylanilino)methyl]-2-methoxyphenol
CID 43729448
4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol
CID 43743646
2-methoxy-4-[(4-methylanilino)methyl]phenol
CID 4093534
4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol
CID 43124744
2-iodo-N-[(4-methylphenyl)methyl]aniline
CID 28878568
2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol
CID 62809836
4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol
CID 43730019
4-(iodomethyl)-2-methoxyphenol
CID 15255516

Frequently Asked Questions

What is the IUPAC name of 4-[(2-iodoanilino)methyl]-2-methoxyphenol?
The IUPAC name of 4-[(2-iodoanilino)methyl]-2-methoxyphenol (CID 28978282) is 4-[(2-iodoanilino)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(2-iodoanilino)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(2-iodoanilino)methyl]-2-methoxyphenol is COc1cc(CNc2ccccc2I)ccc1O.
What is the InChIKey of 4-[(2-iodoanilino)methyl]-2-methoxyphenol?
The InChIKey is AZPYARYZWUBSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO2/c1-18-14-8-10(6-7-13(14)17)9-16-12-5-3-2-4-11(12)15/h2-8,16-17H,9H2,1H3.
What are the key properties of 4-[(2-iodoanilino)methyl]-2-methoxyphenol?
4-[(2-iodoanilino)methyl]-2-methoxyphenol has a molecular weight of 355.18 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-iodoanilino)methyl]-2-methoxyphenol is sourced from PubChem (CID 28978282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).