N-[1-(3,5-dichlorophenyl)ethoxy]methanimine

C9H9Cl2NO — CID 118203776

IUPACN-[1-(3,5-dichlorophenyl)ethoxy]methanimine
SMILESC=NOC(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H9Cl2NO/c1-6(13-12-2)7-3-8(10)5-9(11)4-7/h3-6H,2H2,1H3
InChIKeyNRIXOWFRPQQCKZ-UHFFFAOYSA-N
MW218.08 g/mol
LogP3.69
Rot. Bonds3

About N-[1-(3,5-dichlorophenyl)ethoxy]methanimine

N-[1-(3,5-dichlorophenyl)ethoxy]methanimine (PubChem CID 118203776) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is N-[1-(3,5-dichlorophenyl)ethoxy]methanimine.

Molecular Properties

Compound NameN-[1-(3,5-dichlorophenyl)ethoxy]methanimine
PubChem CID118203776
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC NameN-[1-(3,5-dichlorophenyl)ethoxy]methanimine
SMILESC=NOC(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H9Cl2NO/c1-6(13-12-2)7-3-8(10)5-9(11)4-7/h3-6H,2H2,1H3
InChIKeyNRIXOWFRPQQCKZ-UHFFFAOYSA-N
XLogP3.69
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 53.69
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

1,3-dichloro-5-(3-methylbutan-2-yl)benzene
CID 59591228
(1R)-1-(3,5-dichlorophenyl)-3-methylbutan-1-amine
CID 130902077
2-(3,5-dichlorophenyl)propan-1-ol
CID 130952476
1,3-dichloro-5-(dichloromethyl)benzene
CID 19898502
2-(3,5-dichlorophenyl)propanal
CID 54061579
1-(3,5-dichlorophenyl)ethyl 4-methylbenzenesulfonate
CID 90462706
(1S,2R)-2-amino-1-(3,5-dichlorophenyl)propan-1-ol
CID 93304578
[1-(3,5-dichlorophenyl)-2-methylprop-2-enyl]hydrazine
CID 105320101
(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 130777230
sulfane;1,3,5-trichlorobenzene
CID 174951805
methane;tris(1,3,5-trichlorobenzene)
CID 175444750
(2S,3R)-5-[[(1R)-1-(3,5-dichlorophenyl)ethoxy]methyl]-2,3-dimethyloxolane
CID 155242076

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichlorophenyl)ethoxy]methanimine?
The IUPAC name of N-[1-(3,5-dichlorophenyl)ethoxy]methanimine (CID 118203776) is N-[1-(3,5-dichlorophenyl)ethoxy]methanimine.
What is the SMILES notation for N-[1-(3,5-dichlorophenyl)ethoxy]methanimine?
The canonical SMILES for N-[1-(3,5-dichlorophenyl)ethoxy]methanimine is C=NOC(C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[1-(3,5-dichlorophenyl)ethoxy]methanimine?
The InChIKey is NRIXOWFRPQQCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c1-6(13-12-2)7-3-8(10)5-9(11)4-7/h3-6H,2H2,1H3.
What are the key properties of N-[1-(3,5-dichlorophenyl)ethoxy]methanimine?
N-[1-(3,5-dichlorophenyl)ethoxy]methanimine has a molecular weight of 218.08 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichlorophenyl)ethoxy]methanimine is sourced from PubChem (CID 118203776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).