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

C18H21NO5 — CID 132961622

IUPACN-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1
InChIInChI=1S/C18H21NO5/c1-20-14-8-13(9-15(10-14)21-2)19-11-12-6-16(22-3)18(24-5)17(7-12)23-4/h6-11H,1-5H3/b19-11+
InChIKeyJMMLNWTXWWEMPV-YBFXNURJSA-N
MW331.37 g/mol
LogP3.48
Rot. Bonds7

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

N-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine (PubChem CID 132961622) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
PubChem CID132961622
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC NameN-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1
InChIInChI=1S/C18H21NO5/c1-20-14-8-13(9-15(10-14)21-2)19-11-12-6-16(22-3)18(24-5)17(7-12)23-4/h6-11H,1-5H3/b19-11+
InChIKeyJMMLNWTXWWEMPV-YBFXNURJSA-N
XLogP3.48
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine (CID 132961622) is N-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine is COc1cc(/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The InChIKey is JMMLNWTXWWEMPV-YBFXNURJSA-N. The full InChI is InChI=1S/C18H21NO5/c1-20-14-8-13(9-15(10-14)21-2)19-11-12-6-16(22-3)18(24-5)17(7-12)23-4/h6-11H,1-5H3/b19-11+.
What are the key properties of N-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
N-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine has a molecular weight of 331.37 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine is sourced from PubChem (CID 132961622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).