1-(6-methoxynaphthalen-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine

C21H21NO4 — CID 50905580

IUPAC1-(6-methoxynaphthalen-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1ccc2cc(/C=N/c3cc(OC)c(OC)c(OC)c3)ccc2c1
InChIInChI=1S/C21H21NO4/c1-23-18-8-7-15-9-14(5-6-16(15)10-18)13-22-17-11-19(24-2)21(26-4)20(12-17)25-3/h5-13H,1-4H3/b22-13+
InChIKeyXEYSESAVZVSCCG-LPYMAVHISA-N
MW351.40 g/mol
LogP4.62
Rot. Bonds6

About 1-(6-methoxynaphthalen-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine

1-(6-methoxynaphthalen-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine (PubChem CID 50905580) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine
PubChem CID50905580
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name1-(6-methoxynaphthalen-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1ccc2cc(/C=N/c3cc(OC)c(OC)c(OC)c3)ccc2c1
InChIInChI=1S/C21H21NO4/c1-23-18-8-7-15-9-14(5-6-16(15)10-18)13-22-17-11-19(24-2)21(26-4)20(12-17)25-3/h5-13H,1-4H3/b22-13+
InChIKeyXEYSESAVZVSCCG-LPYMAVHISA-N
XLogP4.62
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-(6-methoxynaphthalen-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine (CID 50905580) is 1-(6-methoxynaphthalen-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine is COc1ccc2cc(/C=N/c3cc(OC)c(OC)c(OC)c3)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine?
The InChIKey is XEYSESAVZVSCCG-LPYMAVHISA-N. The full InChI is InChI=1S/C21H21NO4/c1-23-18-8-7-15-9-14(5-6-16(15)10-18)13-22-17-11-19(24-2)21(26-4)20(12-17)25-3/h5-13H,1-4H3/b22-13+.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine?
1-(6-methoxynaphthalen-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine has a molecular weight of 351.40 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine is sourced from PubChem (CID 50905580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).