3-iodo-4-phenylmethoxyaniline;iron

C13H12FeINO — CID 70281064

IUPAC3-iodo-4-phenylmethoxyaniline;iron
SMILESNc1ccc(OCc2ccccc2)c(I)c1.[Fe]
InChIInChI=1S/C13H12INO.Fe/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10;/h1-8H,9,15H2;
InChIKeyPDGYUPHVDOEHPQ-UHFFFAOYSA-N
MW380.99 g/mol
LogP3.45
Rot. Bonds3

About 3-iodo-4-phenylmethoxyaniline;iron

3-iodo-4-phenylmethoxyaniline;iron (PubChem CID 70281064) has the molecular formula C13H12FeINO and a molecular weight of 380.99 g/mol. Its IUPAC name is 3-iodo-4-phenylmethoxyaniline;iron.

Molecular Properties

Compound Name3-iodo-4-phenylmethoxyaniline;iron
PubChem CID70281064
Molecular FormulaC13H12FeINO
Molecular Weight380.99 g/mol
Exact Mass380.93
IUPAC Name3-iodo-4-phenylmethoxyaniline;iron
SMILESNc1ccc(OCc2ccccc2)c(I)c1.[Fe]
InChIInChI=1S/C13H12INO.Fe/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10;/h1-8H,9,15H2;
InChIKeyPDGYUPHVDOEHPQ-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.99
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-chlorophenyl)methoxy]-3-iodoaniline
CID 66095443
(3-iodo-4-phenylmethoxyphenyl)methanamine
CID 169488711
3-[(2-iodophenoxy)methyl]aniline
CID 43479605
3-methoxy-4-phenylmethoxyaniline
CID 27226
4-iodo-2-phenylmethoxyaniline
CID 66756754
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
5-phenylmethoxynaphthalen-2-amine
CID 129054622
3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827
4-cyclohexyloxy-3-phenylmethoxyaniline
CID 164888754
4-phenylmethoxyaniline
CID 159966727
(3-iodo-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone
CID 172647558
3-(2-fluoro-5-methoxyphenyl)-4-phenylmethoxyaniline
CID 169408820

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-phenylmethoxyaniline;iron?
The IUPAC name of 3-iodo-4-phenylmethoxyaniline;iron (CID 70281064) is 3-iodo-4-phenylmethoxyaniline;iron.
What is the SMILES notation for 3-iodo-4-phenylmethoxyaniline;iron?
The canonical SMILES for 3-iodo-4-phenylmethoxyaniline;iron is Nc1ccc(OCc2ccccc2)c(I)c1.[Fe].
What is the InChIKey of 3-iodo-4-phenylmethoxyaniline;iron?
The InChIKey is PDGYUPHVDOEHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO.Fe/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10;/h1-8H,9,15H2;.
What are the key properties of 3-iodo-4-phenylmethoxyaniline;iron?
3-iodo-4-phenylmethoxyaniline;iron has a molecular weight of 380.99 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-iodo-4-phenylmethoxyaniline;iron is sourced from PubChem (CID 70281064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).