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

C19H19Cl2NO2 — CID 6558279

IUPAC(Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethanimine
SMILESCOc1ccc([C@@H]2C[C@H]2/C(C)=N\OCc2c(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/b22-12-/t15-,16-/m0/s1
InChIKeyJIMACHJGDFRGCV-JLFHSUMDSA-N
MW364.27 g/mol
LogP5.70
Rot. Bonds6

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

(Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethanimine (PubChem CID 6558279) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is (Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethanimine
PubChem CID6558279
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Name(Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethanimine
SMILESCOc1ccc([C@@H]2C[C@H]2/C(C)=N\OCc2c(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/b22-12-/t15-,16-/m0/s1
InChIKeyJIMACHJGDFRGCV-JLFHSUMDSA-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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Related Compounds

N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-methoxyphenyl)cyclopropyl]ethanimine
CID 3789844
N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine
CID 3783497
(Z)-N-methoxy-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanimine
CID 6346543
(2Z)-2-methoxyimino-2-[2-[[(E)-1-[2-(4-methoxyphenyl)cyclopropyl]ethylideneamino]oxymethyl]phenyl]acetamide
CID 18786682
(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(4-chlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine
CID 40856977
(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine
CID 40856970
(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine
CID 7094409
(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine
CID 40544488
(E)-1-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine
CID 40544487
[(E)-1-[2-(4-methoxyphenyl)cyclopropyl]ethylideneamino] 4-fluorobenzoate
CID 6161366
[(Z)-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethylideneamino] 4-fluorobenzoate
CID 42549790
1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-(2-phenoxyethoxy)ethanimine
CID 7097778

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethanimine?
The IUPAC name of (Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethanimine (CID 6558279) is (Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethanimine.
What is the SMILES notation for (Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethanimine?
The canonical SMILES for (Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethanimine is COc1ccc([C@@H]2C[C@H]2/C(C)=N\OCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of (Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethanimine?
The InChIKey is JIMACHJGDFRGCV-JLFHSUMDSA-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/b22-12-/t15-,16-/m0/s1.
What are the key properties of (Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethanimine?
(Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[(1R,2R)-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 (Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethanimine is sourced from PubChem (CID 6558279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).