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

C9H9Cl2NO — CID 52540048

IUPAC(E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine
SMILESCO/N=C(\C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2NO/c1-6(12-13-2)7-3-4-8(10)9(11)5-7/h3-5H,1-2H3/b12-6+
InChIKeyJPEWBAUSNPWVEW-WUXMJOGZSA-N
MW218.08 g/mol
LogP3.36
Rot. Bonds2

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

(E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine (PubChem CID 52540048) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is (E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine
PubChem CID52540048
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name(E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine
SMILESCO/N=C(\C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2NO/c1-6(12-13-2)7-3-4-8(10)9(11)5-7/h3-5H,1-2H3/b12-6+
InChIKeyJPEWBAUSNPWVEW-WUXMJOGZSA-N
XLogP3.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 53.36
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

[(E)-1-(3,4-dichlorophenyl)ethylideneamino] acetate
CID 138968191
1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine
CID 2827019
(E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine
CID 21345733
1-(2,1,3-benzoxadiazol-5-yl)-N-methoxyethanimine
CID 72609414
3-[2-chloro-5-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-2-fluoroaniline
CID 126622658
(NZ)-N-[1-(3,4-dichlorophenyl)ethylidene]methanesulfinamide
CID 164646072
[(Z)-1-(3,4-dichlorophenyl)ethylideneamino] 2-bromobenzoate
CID 6084821
3-[(E)-N-methoxy-C-methylcarbonimidoyl]aniline
CID 83525120
(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-3-methylbutanoic acid
CID 45107935
(1Z)-1-(3,4-dichlorophenyl)-1-methoxyiminoheptan-4-one
CID 123450309
[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
CID 5495611
2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline
CID 3972659

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine?
The IUPAC name of (E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine (CID 52540048) is (E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine.
What is the SMILES notation for (E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine?
The canonical SMILES for (E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine is CO/N=C(\C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine?
The InChIKey is JPEWBAUSNPWVEW-WUXMJOGZSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c1-6(12-13-2)7-3-4-8(10)9(11)5-7/h3-5H,1-2H3/b12-6+.
What are the key properties of (E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine?
(E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine has a molecular weight of 218.08 g/mol, XLogP of 3.36, 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-methoxyethanimine is sourced from PubChem (CID 52540048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).