1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron

C14H13Cl3FeNO — CID 21342767

IUPAC1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron
SMILESCOc1ccccc1/C=N/c1ccccc1.Cl[Fe](Cl)Cl
InChIInChI=1S/C14H13NO.3ClH.Fe/c1-16-14-10-6-5-7-12(14)11-15-13-8-3-2-4-9-13;;;;/h2-11H,1H3;3*1H;/q;;;;+3/p-3/b15-11+;;;;
InChIKeyWZAKPOLSRQHPDT-KJSXAQCBSA-K
MW373.47 g/mol
LogP5.51
Rot. Bonds3

About 1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron

1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron (PubChem CID 21342767) has the molecular formula C14H13Cl3FeNO and a molecular weight of 373.47 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron
PubChem CID21342767
Molecular FormulaC14H13Cl3FeNO
Molecular Weight373.47 g/mol
Exact Mass371.94
IUPAC Name1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron
SMILESCOc1ccccc1/C=N/c1ccccc1.Cl[Fe](Cl)Cl
InChIInChI=1S/C14H13NO.3ClH.Fe/c1-16-14-10-6-5-7-12(14)11-15-13-8-3-2-4-9-13;;;;/h2-11H,1H3;3*1H;/q;;;;+3/p-3/b15-11+;;;;
InChIKeyWZAKPOLSRQHPDT-KJSXAQCBSA-K
XLogP5.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.47
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-(2-methoxyphenyl)-N-phenylmethanimine
CID 176714892
3-[(2-methoxyphenyl)methylideneamino]benzoic acid
CID 961438
1-(2-ethoxyphenyl)-N-phenylmethanimine
CID 961492
N-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine
CID 14715139
1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine
CID 13212556
[2-(phenyliminomethyl)phenoxy] thiohypofluorite
CID 118561769
4-methoxy-2,5-bis(phenyliminomethyl)phenol
CID 136671201
1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 693656
N-[4-(6-chloro-4-phenylquinolin-2-yl)phenyl]-1-(2-methoxyphenyl)methanimine
CID 23856286
1-[3-methoxy-2-[2-(phenyliminomethyl)phenyl]phenyl]ethanone
CID 11812637
N-(4-chlorophenyl)-1-(3-methoxyazulen-1-yl)methanimine
CID 10582546
[2-(phenyliminomethyl)phenyl] benzenesulfonate
CID 126219717

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron?
The IUPAC name of 1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron (CID 21342767) is 1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron?
The canonical SMILES for 1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron is COc1ccccc1/C=N/c1ccccc1.Cl[Fe](Cl)Cl.
What is the InChIKey of 1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron?
The InChIKey is WZAKPOLSRQHPDT-KJSXAQCBSA-K. The full InChI is InChI=1S/C14H13NO.3ClH.Fe/c1-16-14-10-6-5-7-12(14)11-15-13-8-3-2-4-9-13;;;;/h2-11H,1H3;3*1H;/q;;;;+3/p-3/b15-11+;;;;.
What are the key properties of 1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron?
1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron has a molecular weight of 373.47 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron is sourced from PubChem (CID 21342767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).