dichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine

C16H18Cl2FeN2 — CID 153313891

IUPACdichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine
SMILESC/C(=N\c1ccccc1C(C)C)c1ccccn1.Cl[Fe]Cl
InChIInChI=1S/C16H18N2.2ClH.Fe/c1-12(2)14-8-4-5-10-16(14)18-13(3)15-9-6-7-11-17-15;;;/h4-12H,1-3H3;2*1H;/q;;;+2/p-2/b18-13+;;;
InChIKeyYZUQKHYIBYKGQU-KBEHSQJOSA-L
MW365.09 g/mol
LogP5.72
Rot. Bonds3

About dichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine

dichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine (PubChem CID 153313891) has the molecular formula C16H18Cl2FeN2 and a molecular weight of 365.09 g/mol. Its IUPAC name is dichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine.

Molecular Properties

Compound Namedichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine
PubChem CID153313891
Molecular FormulaC16H18Cl2FeN2
Molecular Weight365.09 g/mol
Exact Mass364.02
IUPAC Namedichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine
SMILESC/C(=N\c1ccccc1C(C)C)c1ccccn1.Cl[Fe]Cl
InChIInChI=1S/C16H18N2.2ClH.Fe/c1-12(2)14-8-4-5-10-16(14)18-13(3)15-9-6-7-11-17-15;;;/h4-12H,1-3H3;2*1H;/q;;;+2/p-2/b18-13+;;;
InChIKeyYZUQKHYIBYKGQU-KBEHSQJOSA-L
XLogP5.72
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.09
LogP ≤ 55.72
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'}

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Related Compounds

dichloroiron;1-[2-[C-methyl-N-(2-propan-2-ylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2-propan-2-ylphenyl)ethanimine
CID 140654530
2-(1-pyridin-2-ylethylideneamino)benzenethiol
CID 135426936
dichloroiron;methane;bis(1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)ethanimine);oxolane
CID 160697014
N-(4-chlorophenyl)-1-pyridin-2-ylethanimine
CID 15815211
palladium(2+);bis(2-(1-pyridin-2-ylethylideneamino)benzenethiolate)
CID 10650522
2-N,3-N-bis(2-propan-2-ylphenyl)butane-2,3-diimine;carbanide;nickel(2+)
CID 59919412
N-[2-[diphenyl-[2-(1-pyridin-2-ylethylideneamino)phenyl]sulfanylsilyl]sulfanylphenyl]-1-pyridin-2-ylethanimine
CID 10100620
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
N-(2,6-dibromophenyl)-1-pyridin-2-ylethanimine
CID 141267824
N-(2-chloro-6-methylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloroiron
CID 161432910
[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769
N-methoxy-1-pyridin-2-ylethanimine
CID 87078601

Frequently Asked Questions

What is the IUPAC name of dichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine?
The IUPAC name of dichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine (CID 153313891) is dichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine.
What is the SMILES notation for dichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine?
The canonical SMILES for dichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine is C/C(=N\c1ccccc1C(C)C)c1ccccn1.Cl[Fe]Cl.
What is the InChIKey of dichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine?
The InChIKey is YZUQKHYIBYKGQU-KBEHSQJOSA-L. The full InChI is InChI=1S/C16H18N2.2ClH.Fe/c1-12(2)14-8-4-5-10-16(14)18-13(3)15-9-6-7-11-17-15;;;/h4-12H,1-3H3;2*1H;/q;;;+2/p-2/b18-13+;;;.
What are the key properties of dichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine?
dichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine has a molecular weight of 365.09 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine is sourced from PubChem (CID 153313891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).