(E)-N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine

C17H17Cl2NO — CID 22968924

IUPAC(E)-N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine
SMILESCCc1cccc(/C(C)=N/OCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H17Cl2NO/c1-3-13-6-4-7-14(10-13)12(2)20-21-11-15-16(18)8-5-9-17(15)19/h4-10H,3,11H2,1-2H3/b20-12+
InChIKeyQKNSKYPAPSJQFL-UDWIEESQSA-N
MW322.24 g/mol
LogP5.50
Rot. Bonds5

About (E)-N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine

(E)-N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine (PubChem CID 22968924) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is (E)-N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine.

Molecular Properties

Compound Name(E)-N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine
PubChem CID22968924
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name(E)-N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine
SMILESCCc1cccc(/C(C)=N/OCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H17Cl2NO/c1-3-13-6-4-7-14(10-13)12(2)20-21-11-15-16(18)8-5-9-17(15)19/h4-10H,3,11H2,1-2H3/b20-12+
InChIKeyQKNSKYPAPSJQFL-UDWIEESQSA-N
XLogP5.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.24
LogP ≤ 55.50
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'}

Analyze (E)-N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine 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

(E)-1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 22968889
(E)-1-(4-chloro-3-pyrrol-1-ylphenyl)-N-[(2,6-dichlorophenyl)methoxy]ethanimine
CID 134116366
(NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine
CID 22968888
1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine
CID 123195417
(E)-1-[3-(isocyanatomethyl)phenyl]-N-phenylmethoxyethanimine
CID 18388874
(E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine
CID 20782602
3-(C-methyl-N-phenylmethoxycarbonimidoyl)benzonitrile
CID 73433324
3-(C-methyl-N-phenylmethoxycarbonimidoyl)benzaldehyde
CID 73433317
ethyl 3-[[(E)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethylideneamino]oxymethyl]benzoate
CID 176657370
1-(3-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methoxy]ethanimine
CID 141141529
(E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine
CID 23568826
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine?
The IUPAC name of (E)-N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine (CID 22968924) is (E)-N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine.
What is the SMILES notation for (E)-N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine?
The canonical SMILES for (E)-N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine is CCc1cccc(/C(C)=N/OCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of (E)-N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine?
The InChIKey is QKNSKYPAPSJQFL-UDWIEESQSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-3-13-6-4-7-14(10-13)12(2)20-21-11-15-16(18)8-5-9-17(15)19/h4-10H,3,11H2,1-2H3/b20-12+.
What are the key properties of (E)-N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine?
(E)-N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine has a molecular weight of 322.24 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine is sourced from PubChem (CID 22968924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).