2-[(4-iodophenyl)methoxy]-5-methoxyaniline

C14H14INO2 — CID 65498773

IUPAC2-[(4-iodophenyl)methoxy]-5-methoxyaniline
SMILESCOc1ccc(OCc2ccc(I)cc2)c(N)c1
InChIInChI=1S/C14H14INO2/c1-17-12-6-7-14(13(16)8-12)18-9-10-2-4-11(15)5-3-10/h2-8H,9,16H2,1H3
InChIKeySXIYQEKLGOFSLC-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.46
Rot. Bonds4

About 2-[(4-iodophenyl)methoxy]-5-methoxyaniline

2-[(4-iodophenyl)methoxy]-5-methoxyaniline (PubChem CID 65498773) has the molecular formula C14H14INO2 and a molecular weight of 355.18 g/mol. Its IUPAC name is 2-[(4-iodophenyl)methoxy]-5-methoxyaniline.

Molecular Properties

Compound Name2-[(4-iodophenyl)methoxy]-5-methoxyaniline
PubChem CID65498773
Molecular FormulaC14H14INO2
Molecular Weight355.18 g/mol
Exact Mass355.01
IUPAC Name2-[(4-iodophenyl)methoxy]-5-methoxyaniline
SMILESCOc1ccc(OCc2ccc(I)cc2)c(N)c1
InChIInChI=1S/C14H14INO2/c1-17-12-6-7-14(13(16)8-12)18-9-10-2-4-11(15)5-3-10/h2-8H,9,16H2,1H3
InChIKeySXIYQEKLGOFSLC-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

5-iodo-2-[(4-methoxyphenyl)methoxy]aniline
CID 66079969
4-[(2-amino-4-methoxyphenoxy)methyl]benzamide
CID 24689715
2-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxyaniline
CID 43332349
5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 19627149
1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene
CID 65477833
1-[(4-iodophenyl)methoxy]-3,5-dimethoxybenzene
CID 65490326
4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene
CID 61400160
4-[(4-iodophenyl)methoxy]-2-methylaniline
CID 65498774
5-methoxy-2-(pyridin-2-ylmethoxy)aniline
CID 16775223
5-methoxy-2-(3-phenylmethoxyphenoxy)aniline
CID 166611417
1-iodo-4-[(2-methoxyphenoxy)methyl]benzene
CID 65490532
5-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 16777766

Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodophenyl)methoxy]-5-methoxyaniline?
The IUPAC name of 2-[(4-iodophenyl)methoxy]-5-methoxyaniline (CID 65498773) is 2-[(4-iodophenyl)methoxy]-5-methoxyaniline.
What is the SMILES notation for 2-[(4-iodophenyl)methoxy]-5-methoxyaniline?
The canonical SMILES for 2-[(4-iodophenyl)methoxy]-5-methoxyaniline is COc1ccc(OCc2ccc(I)cc2)c(N)c1.
What is the InChIKey of 2-[(4-iodophenyl)methoxy]-5-methoxyaniline?
The InChIKey is SXIYQEKLGOFSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO2/c1-17-12-6-7-14(13(16)8-12)18-9-10-2-4-11(15)5-3-10/h2-8H,9,16H2,1H3.
What are the key properties of 2-[(4-iodophenyl)methoxy]-5-methoxyaniline?
2-[(4-iodophenyl)methoxy]-5-methoxyaniline 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 2-[(4-iodophenyl)methoxy]-5-methoxyaniline is sourced from PubChem (CID 65498773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).