(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine

C16H15Cl2NO3 — CID 7702644

IUPAC(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine
SMILESCOc1cc(/C=N\OCc2ccc(Cl)cc2)cc(Cl)c1OC
InChIInChI=1S/C16H15Cl2NO3/c1-20-15-8-12(7-14(18)16(15)21-2)9-19-22-10-11-3-5-13(17)6-4-11/h3-9H,10H2,1-2H3/b19-9-
InChIKeyZMDGFLJNBFKQDL-OCKHKDLRSA-N
MW340.21 g/mol
LogP4.56
Rot. Bonds6

About (Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine

(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine (PubChem CID 7702644) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is (Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine
PubChem CID7702644
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine
SMILESCOc1cc(/C=N\OCc2ccc(Cl)cc2)cc(Cl)c1OC
InChIInChI=1S/C16H15Cl2NO3/c1-20-15-8-12(7-14(18)16(15)21-2)9-19-22-10-11-3-5-13(17)6-4-11/h3-9H,10H2,1-2H3/b19-9-
InChIKeyZMDGFLJNBFKQDL-OCKHKDLRSA-N
XLogP4.56
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 3922392
2-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxyacetic acid
CID 77013358
1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine
CID 78766572
(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 9354319
(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
CID 117060747
(Z)-1-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[(3-nitrophenyl)methoxy]methanimine
CID 31472099
4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide
CID 24605944
2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N,N-di(propan-2-yl)acetamide
CID 7702937
(E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine
CID 75394681
(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 7703084
1-(azepan-1-yl)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxyethanone
CID 7702672
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 1321073

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine?
The IUPAC name of (Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine (CID 7702644) is (Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine.
What is the SMILES notation for (Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine?
The canonical SMILES for (Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine is COc1cc(/C=N\OCc2ccc(Cl)cc2)cc(Cl)c1OC.
What is the InChIKey of (Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine?
The InChIKey is ZMDGFLJNBFKQDL-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c1-20-15-8-12(7-14(18)16(15)21-2)9-19-22-10-11-3-5-13(17)6-4-11/h3-9H,10H2,1-2H3/b19-9-.
What are the key properties of (Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine?
(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine has a molecular weight of 340.21 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine is sourced from PubChem (CID 7702644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).