(E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine

C8H7Cl2NO — CID 53468142

IUPAC(E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine
SMILESCO/N=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2NO/c1-12-11-5-6-2-3-7(9)8(10)4-6/h2-5H,1H3/b11-5+
InChIKeyPITZMRODOAODRV-VZUCSPMQSA-N
MW204.06 g/mol
LogP2.97
Rot. Bonds2

About (E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine

(E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine (PubChem CID 53468142) has the molecular formula C8H7Cl2NO and a molecular weight of 204.06 g/mol. Its IUPAC name is (E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine.

Molecular Properties

Compound Name(E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine
PubChem CID53468142
Molecular FormulaC8H7Cl2NO
Molecular Weight204.06 g/mol
Exact Mass202.99
IUPAC Name(E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine
SMILESCO/N=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2NO/c1-12-11-5-6-2-3-7(9)8(10)4-6/h2-5H,1H3/b11-5+
InChIKeyPITZMRODOAODRV-VZUCSPMQSA-N
XLogP2.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(3,5-dichlorophenyl)-N-methoxymethanimine
CID 88631268
(Z)-1-(4-chlorophenyl)-N-methoxymethanimine
CID 5374184
(Z)-1-(3,4-dichlorophenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]methanimine
CID 6108687
(3,4-dichlorophenyl)methylidenehydrazine
CID 3297701
4-[(E)-methoxyiminomethyl]benzene-1,2-diol
CID 135443391
(Z)-1-(3,4-dimethoxyphenyl)-N-methoxymethanimine
CID 5375403
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640
tert-butyl 2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetate
CID 23519151
1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine
CID 4181314
1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 122615244
(R)-N-[(3,4-dichlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 67122775
2-(hydroxymethyl)-4-[(E)-methoxyiminomethyl]phenol
CID 137263283

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine?
The IUPAC name of (E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine (CID 53468142) is (E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine.
What is the SMILES notation for (E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine?
The canonical SMILES for (E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine is CO/N=C/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine?
The InChIKey is PITZMRODOAODRV-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H7Cl2NO/c1-12-11-5-6-2-3-7(9)8(10)4-6/h2-5H,1H3/b11-5+.
What are the key properties of (E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine?
(E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine has a molecular weight of 204.06 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dichlorophenyl)-N-methoxymethanimine is sourced from PubChem (CID 53468142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).