3-[(2-iodophenoxy)methyl]aniline

C13H12INO — CID 43479605

IUPAC3-[(2-iodophenoxy)methyl]aniline
SMILESNc1cccc(COc2ccccc2I)c1
InChIInChI=1S/C13H12INO/c14-12-6-1-2-7-13(12)16-9-10-4-3-5-11(15)8-10/h1-8H,9,15H2
InChIKeyGNHJXWOHWDODKI-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.45
Rot. Bonds3

About 3-[(2-iodophenoxy)methyl]aniline

3-[(2-iodophenoxy)methyl]aniline (PubChem CID 43479605) has the molecular formula C13H12INO and a molecular weight of 325.15 g/mol. Its IUPAC name is 3-[(2-iodophenoxy)methyl]aniline.

Molecular Properties

Compound Name3-[(2-iodophenoxy)methyl]aniline
PubChem CID43479605
Molecular FormulaC13H12INO
Molecular Weight325.15 g/mol
Exact Mass325.00
IUPAC Name3-[(2-iodophenoxy)methyl]aniline
SMILESNc1cccc(COc2ccccc2I)c1
InChIInChI=1S/C13H12INO/c14-12-6-1-2-7-13(12)16-9-10-4-3-5-11(15)8-10/h1-8H,9,15H2
InChIKeyGNHJXWOHWDODKI-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.45
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

3-iodo-4-phenylmethoxyaniline;iron
CID 70281064
4-[(3-chlorophenyl)methoxy]-3-iodoaniline
CID 66095443
1,2-bis[(2-iodophenoxy)methyl]benzene
CID 154951075
1-iodo-2-[(4-methylphenyl)methoxy]benzene
CID 63530114
3-(1,3-benzothiazol-4-yloxymethyl)aniline
CID 52949173
[4-[(3-aminophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742663
4-[2-(2-iodophenoxy)ethyl]aniline
CID 43519777
5-phenylmethoxynaphthalen-2-amine
CID 129054622
3-[(2-tert-butyl-5-methylphenoxy)methyl]aniline
CID 29012995
1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene
CID 114930275
3-methoxy-4-phenylmethoxyaniline
CID 27226
(3-iodo-4-phenylmethoxyphenyl)methanamine
CID 169488711

Frequently Asked Questions

What is the IUPAC name of 3-[(2-iodophenoxy)methyl]aniline?
The IUPAC name of 3-[(2-iodophenoxy)methyl]aniline (CID 43479605) is 3-[(2-iodophenoxy)methyl]aniline.
What is the SMILES notation for 3-[(2-iodophenoxy)methyl]aniline?
The canonical SMILES for 3-[(2-iodophenoxy)methyl]aniline is Nc1cccc(COc2ccccc2I)c1.
What is the InChIKey of 3-[(2-iodophenoxy)methyl]aniline?
The InChIKey is GNHJXWOHWDODKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO/c14-12-6-1-2-7-13(12)16-9-10-4-3-5-11(15)8-10/h1-8H,9,15H2.
What are the key properties of 3-[(2-iodophenoxy)methyl]aniline?
3-[(2-iodophenoxy)methyl]aniline has a molecular weight of 325.15 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-iodophenoxy)methyl]aniline is sourced from PubChem (CID 43479605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).