N-(2-methyl-6-propan-2-ylphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine

C20H25NO3 — CID 23761180

IUPACN-(2-methyl-6-propan-2-ylphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/C=N/c2c(C)cccc2C(C)C)cc(OC)c1OC
InChIInChI=1S/C20H25NO3/c1-13(2)16-9-7-8-14(3)19(16)21-12-15-10-17(22-4)20(24-6)18(11-15)23-5/h7-13H,1-6H3/b21-12+
InChIKeySWZZOMLHYDULGJ-CIAFOILYSA-N
MW327.42 g/mol
LogP4.89
Rot. Bonds6

About N-(2-methyl-6-propan-2-ylphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine

N-(2-methyl-6-propan-2-ylphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine (PubChem CID 23761180) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
PubChem CID23761180
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/C=N/c2c(C)cccc2C(C)C)cc(OC)c1OC
InChIInChI=1S/C20H25NO3/c1-13(2)16-9-7-8-14(3)19(16)21-12-15-10-17(22-4)20(24-6)18(11-15)23-5/h7-13H,1-6H3/b21-12+
InChIKeySWZZOMLHYDULGJ-CIAFOILYSA-N
XLogP4.89
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.89
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-(2-methyl-6-propan-2-ylphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine (CID 23761180) is N-(2-methyl-6-propan-2-ylphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine is COc1cc(/C=N/c2c(C)cccc2C(C)C)cc(OC)c1OC.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The InChIKey is SWZZOMLHYDULGJ-CIAFOILYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-13(2)16-9-7-8-14(3)19(16)21-12-15-10-17(22-4)20(24-6)18(11-15)23-5/h7-13H,1-6H3/b21-12+.
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
N-(2-methyl-6-propan-2-ylphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine has a molecular weight of 327.42 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine is sourced from PubChem (CID 23761180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).