4-[(4-iodophenyl)methoxy]-2-methylaniline

C14H14INO — CID 65498774

IUPAC4-[(4-iodophenyl)methoxy]-2-methylaniline
SMILESCc1cc(OCc2ccc(I)cc2)ccc1N
InChIInChI=1S/C14H14INO/c1-10-8-13(6-7-14(10)16)17-9-11-2-4-12(15)5-3-11/h2-8H,9,16H2,1H3
InChIKeyGYYPKQKFNPOYBQ-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.76
Rot. Bonds3

About 4-[(4-iodophenyl)methoxy]-2-methylaniline

4-[(4-iodophenyl)methoxy]-2-methylaniline (PubChem CID 65498774) has the molecular formula C14H14INO and a molecular weight of 339.18 g/mol. Its IUPAC name is 4-[(4-iodophenyl)methoxy]-2-methylaniline.

Molecular Properties

Compound Name4-[(4-iodophenyl)methoxy]-2-methylaniline
PubChem CID65498774
Molecular FormulaC14H14INO
Molecular Weight339.18 g/mol
Exact Mass339.01
IUPAC Name4-[(4-iodophenyl)methoxy]-2-methylaniline
SMILESCc1cc(OCc2ccc(I)cc2)ccc1N
InChIInChI=1S/C14H14INO/c1-10-8-13(6-7-14(10)16)17-9-11-2-4-12(15)5-3-11/h2-8H,9,16H2,1H3
InChIKeyGYYPKQKFNPOYBQ-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(4-amino-3-methylphenoxy)methyl]benzoate
CID 28942601
N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline
CID 158131264
1-iodo-4-[(3-methylphenoxy)methyl]benzene
CID 65490135
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350576
2-[(4-iodophenyl)methoxy]-5-methoxyaniline
CID 65498773
2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 62125617
1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65499941
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
1-[(4-iodophenyl)methoxy]-3,5-dimethoxybenzene
CID 65490326
1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene
CID 60644543
4-(methoxymethoxy)-2-methylaniline
CID 14883323
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylaniline
CID 170076319

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenyl)methoxy]-2-methylaniline?
The IUPAC name of 4-[(4-iodophenyl)methoxy]-2-methylaniline (CID 65498774) is 4-[(4-iodophenyl)methoxy]-2-methylaniline.
What is the SMILES notation for 4-[(4-iodophenyl)methoxy]-2-methylaniline?
The canonical SMILES for 4-[(4-iodophenyl)methoxy]-2-methylaniline is Cc1cc(OCc2ccc(I)cc2)ccc1N.
What is the InChIKey of 4-[(4-iodophenyl)methoxy]-2-methylaniline?
The InChIKey is GYYPKQKFNPOYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO/c1-10-8-13(6-7-14(10)16)17-9-11-2-4-12(15)5-3-11/h2-8H,9,16H2,1H3.
What are the key properties of 4-[(4-iodophenyl)methoxy]-2-methylaniline?
4-[(4-iodophenyl)methoxy]-2-methylaniline has a molecular weight of 339.18 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenyl)methoxy]-2-methylaniline is sourced from PubChem (CID 65498774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).