5-iodo-2-[(4-methoxyphenyl)methoxy]aniline

C14H14INO2 — CID 66079969

IUPAC5-iodo-2-[(4-methoxyphenyl)methoxy]aniline
SMILESCOc1ccc(COc2ccc(I)cc2N)cc1
InChIInChI=1S/C14H14INO2/c1-17-12-5-2-10(3-6-12)9-18-14-7-4-11(15)8-13(14)16/h2-8H,9,16H2,1H3
InChIKeyBEKQWRHPKLDQDD-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.46
Rot. Bonds4

About 5-iodo-2-[(4-methoxyphenyl)methoxy]aniline

5-iodo-2-[(4-methoxyphenyl)methoxy]aniline (PubChem CID 66079969) has the molecular formula C14H14INO2 and a molecular weight of 355.18 g/mol. Its IUPAC name is 5-iodo-2-[(4-methoxyphenyl)methoxy]aniline.

Molecular Properties

Compound Name5-iodo-2-[(4-methoxyphenyl)methoxy]aniline
PubChem CID66079969
Molecular FormulaC14H14INO2
Molecular Weight355.18 g/mol
Exact Mass355.01
IUPAC Name5-iodo-2-[(4-methoxyphenyl)methoxy]aniline
SMILESCOc1ccc(COc2ccc(I)cc2N)cc1
InChIInChI=1S/C14H14INO2/c1-17-12-5-2-10(3-6-12)9-18-14-7-4-11(15)8-13(14)16/h2-8H,9,16H2,1H3
InChIKeyBEKQWRHPKLDQDD-UHFFFAOYSA-N
XLogP3.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-iodophenyl)methoxy]-5-methoxyaniline
CID 65498773
5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 19627149
4-[(2-amino-4-methoxyphenoxy)methyl]benzamide
CID 24689715
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline
CID 43332349
1-[(4-iodophenyl)methoxy]-3,5-dimethoxybenzene
CID 65490326
[4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine
CID 54934427
1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene
CID 65477833
2-bromo-4-[(4-methoxyphenyl)methoxy]-5-methylaniline
CID 137378485
4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene
CID 61400160
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
4-amino-3-[(4-methoxyphenyl)methoxy]benzamide
CID 63356500
4-[(4-iodophenyl)methoxy]-2-methylaniline
CID 65498774

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[(4-methoxyphenyl)methoxy]aniline?
The IUPAC name of 5-iodo-2-[(4-methoxyphenyl)methoxy]aniline (CID 66079969) is 5-iodo-2-[(4-methoxyphenyl)methoxy]aniline.
What is the SMILES notation for 5-iodo-2-[(4-methoxyphenyl)methoxy]aniline?
The canonical SMILES for 5-iodo-2-[(4-methoxyphenyl)methoxy]aniline is COc1ccc(COc2ccc(I)cc2N)cc1.
What is the InChIKey of 5-iodo-2-[(4-methoxyphenyl)methoxy]aniline?
The InChIKey is BEKQWRHPKLDQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO2/c1-17-12-5-2-10(3-6-12)9-18-14-7-4-11(15)8-13(14)16/h2-8H,9,16H2,1H3.
What are the key properties of 5-iodo-2-[(4-methoxyphenyl)methoxy]aniline?
5-iodo-2-[(4-methoxyphenyl)methoxy]aniline has a molecular weight of 355.18 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[(4-methoxyphenyl)methoxy]aniline is sourced from PubChem (CID 66079969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).