N-(3,5-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine

C16H15Cl2NO3 — CID 708066

IUPACN-(3,5-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/C=N/c2cc(Cl)cc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C16H15Cl2NO3/c1-20-14-4-10(5-15(21-2)16(14)22-3)9-19-13-7-11(17)6-12(18)8-13/h4-9H,1-3H3/b19-9+
InChIKeyILERONFTKYUXOY-DJKKODMXSA-N
MW340.21 g/mol
LogP4.77
Rot. Bonds5

About N-(3,5-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine

N-(3,5-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine (PubChem CID 708066) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
PubChem CID708066
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC NameN-(3,5-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/C=N/c2cc(Cl)cc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C16H15Cl2NO3/c1-20-14-4-10(5-15(21-2)16(14)22-3)9-19-13-7-11(17)6-12(18)8-13/h4-9H,1-3H3/b19-9+
InChIKeyILERONFTKYUXOY-DJKKODMXSA-N
XLogP4.77
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The IUPAC name of N-(3,5-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine (CID 708066) is N-(3,5-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine is COc1cc(/C=N/c2cc(Cl)cc(Cl)c2)cc(OC)c1OC.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The InChIKey is ILERONFTKYUXOY-DJKKODMXSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c1-20-14-4-10(5-15(21-2)16(14)22-3)9-19-13-7-11(17)6-12(18)8-13/h4-9H,1-3H3/b19-9+.
What are the key properties of N-(3,5-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
N-(3,5-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine has a molecular weight of 340.21 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine is sourced from PubChem (CID 708066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).