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

C17H17Cl2NO — CID 59909218

IUPACN-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine
SMILESCCc1cccc(C(C)=NOCc2c(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
InChIKeyQKNSKYPAPSJQFL-UHFFFAOYSA-N
MW322.24 g/mol
LogP5.50
Rot. Bonds5

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

N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine (PubChem CID 59909218) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine
PubChem CID59909218
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC NameN-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine
SMILESCCc1cccc(C(C)=NOCc2c(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
InChIKeyQKNSKYPAPSJQFL-UHFFFAOYSA-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'}

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Related Compounds

5-Benzyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544904
N-[(4-chlorophenyl)-phenylmethoxy]cyclohexanimine
CID 46881759
N-[(4-chlorophenyl)-phenylmethoxy]propan-2-imine
CID 46881800
1-(1-adamantyl)-N-[(2,4-dichlorophenyl)methoxy]-1-phenyl-methanimine
CID 9579226
3-(4-Chlorophenyl)-5-phenyl isoxazoline
CID 13620879
1-(4-chlorophenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]-1-phenylmethanimine
CID 2803433
(Z)-1-(4-chlorophenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]-1-phenylmethanimine
CID 5713486
5-(4-Chlorophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 12290677
(E)-1-(4-chlorophenyl)-N-phenylmethoxyethanimine
CID 134963336
(E)-N-[(2-chloro-6-fluorophenyl)methoxy]-1-(3,4-difluorophenyl)ethanimine
CID 9583131
4-(2-chlorophenyl)-1H-2,3-benzoxazine
CID 76312590
4-(3,5-dichlorophenyl)-1H-2,3-benzoxazine
CID 76334266

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine?
The IUPAC name of N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine (CID 59909218) is N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine is CCc1cccc(C(C)=NOCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine?
The InChIKey is QKNSKYPAPSJQFL-UHFFFAOYSA-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.
What are the key properties of N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine?
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 N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine is sourced from PubChem (CID 59909218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).