N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-methoxyphenyl)cyclopropyl]ethanimine

C19H19Cl2NO2 — CID 3789844

IUPACN-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-methoxyphenyl)cyclopropyl]ethanimine
SMILESCOc1ccc(C2CC2C(C)=NOCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H19Cl2NO2/c1-12(22-24-11-17-18(20)4-3-5-19(17)21)15-10-16(15)13-6-8-14(23-2)9-7-13/h3-9,15-16H,10-11H2,1-2H3
InChIKeyJIMACHJGDFRGCV-UHFFFAOYSA-N
MW364.27 g/mol
LogP5.70
Rot. Bonds6

About N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-methoxyphenyl)cyclopropyl]ethanimine

N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-methoxyphenyl)cyclopropyl]ethanimine (PubChem CID 3789844) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-methoxyphenyl)cyclopropyl]ethanimine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-methoxyphenyl)cyclopropyl]ethanimine
PubChem CID3789844
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC NameN-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-methoxyphenyl)cyclopropyl]ethanimine
SMILESCOc1ccc(C2CC2C(C)=NOCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H19Cl2NO2/c1-12(22-24-11-17-18(20)4-3-5-19(17)21)15-10-16(15)13-6-8-14(23-2)9-7-13/h3-9,15-16H,10-11H2,1-2H3
InChIKeyJIMACHJGDFRGCV-UHFFFAOYSA-N
XLogP5.70
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.27
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-methoxyphenyl)cyclopropyl]ethanimine?
The IUPAC name of N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-methoxyphenyl)cyclopropyl]ethanimine (CID 3789844) is N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-methoxyphenyl)cyclopropyl]ethanimine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-methoxyphenyl)cyclopropyl]ethanimine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-methoxyphenyl)cyclopropyl]ethanimine is COc1ccc(C2CC2C(C)=NOCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-methoxyphenyl)cyclopropyl]ethanimine?
The InChIKey is JIMACHJGDFRGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c1-12(22-24-11-17-18(20)4-3-5-19(17)21)15-10-16(15)13-6-8-14(23-2)9-7-13/h3-9,15-16H,10-11H2,1-2H3.
What are the key properties of N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-methoxyphenyl)cyclopropyl]ethanimine?
N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-methoxyphenyl)cyclopropyl]ethanimine has a molecular weight of 364.27 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-methoxyphenyl)cyclopropyl]ethanimine is sourced from PubChem (CID 3789844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).