(Z)-1-(2,3-dichlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine

C17H17Cl2NO3 — CID 7701469

IUPAC(Z)-1-(2,3-dichlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine
SMILESCOc1cc(C)c(CO/N=C\c2cccc(Cl)c2Cl)cc1OC
InChIInChI=1S/C17H17Cl2NO3/c1-11-7-15(21-2)16(22-3)8-13(11)10-23-20-9-12-5-4-6-14(18)17(12)19/h4-9H,10H2,1-3H3/b20-9-
InChIKeyBUMLIVZWRHSRLD-UKWGHVSLSA-N
MW354.23 g/mol
LogP4.87
Rot. Bonds6

About (Z)-1-(2,3-dichlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine

(Z)-1-(2,3-dichlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine (PubChem CID 7701469) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is (Z)-1-(2,3-dichlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-(2,3-dichlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine
PubChem CID7701469
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name(Z)-1-(2,3-dichlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine
SMILESCOc1cc(C)c(CO/N=C\c2cccc(Cl)c2Cl)cc1OC
InChIInChI=1S/C17H17Cl2NO3/c1-11-7-15(21-2)16(22-3)8-13(11)10-23-20-9-12-5-4-6-14(18)17(12)19/h4-9H,10H2,1-3H3/b20-9-
InChIKeyBUMLIVZWRHSRLD-UKWGHVSLSA-N
XLogP4.87
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.87
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

(Z)-1-(2-bromophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine
CID 7671004
2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
CID 7701196
(Z)-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(2,3-dichlorophenyl)methanimine
CID 7701444
(Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(2-fluorophenyl)methanimine
CID 9371563
(E)-N-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-methylphenyl)methanimine
CID 55500944
2,3-dichloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbenzenesulfonamide
CID 8778154
N-(4-chloro-2-methylphenyl)-2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxyacetamide
CID 7701325
2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7701194
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6018421
1-(2-methoxyphenyl)-N-phenylmethoxymethanimine
CID 75981021
(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine
CID 88512625
N-(2,3-dichlorophenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8550699

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,3-dichlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine?
The IUPAC name of (Z)-1-(2,3-dichlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine (CID 7701469) is (Z)-1-(2,3-dichlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine.
What is the SMILES notation for (Z)-1-(2,3-dichlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine?
The canonical SMILES for (Z)-1-(2,3-dichlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine is COc1cc(C)c(CO/N=C\c2cccc(Cl)c2Cl)cc1OC.
What is the InChIKey of (Z)-1-(2,3-dichlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine?
The InChIKey is BUMLIVZWRHSRLD-UKWGHVSLSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-11-7-15(21-2)16(22-3)8-13(11)10-23-20-9-12-5-4-6-14(18)17(12)19/h4-9H,10H2,1-3H3/b20-9-.
What are the key properties of (Z)-1-(2,3-dichlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine?
(Z)-1-(2,3-dichlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine has a molecular weight of 354.23 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,3-dichlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine is sourced from PubChem (CID 7701469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).