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

C18H21NO3 — CID 7326664

IUPAC1-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)methanimine
SMILESCCc1ccc(/C=N/c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H21NO3/c1-5-13-6-8-14(9-7-13)12-19-15-10-16(20-2)18(22-4)17(11-15)21-3/h6-12H,5H2,1-4H3/b19-12+
InChIKeyWJGVGDBKEDJJJD-XDHOZWIPSA-N
MW299.37 g/mol
LogP4.03
Rot. Bonds6

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

1-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)methanimine (PubChem CID 7326664) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)methanimine
PubChem CID7326664
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name1-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)methanimine
SMILESCCc1ccc(/C=N/c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H21NO3/c1-5-13-6-8-14(9-7-13)12-19-15-10-16(20-2)18(22-4)17(11-15)21-3/h6-12H,5H2,1-4H3/b19-12+
InChIKeyWJGVGDBKEDJJJD-XDHOZWIPSA-N
XLogP4.03
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 50887206
1-(6-methoxynaphthalen-2-yl)-N-(3,4,5-trimethoxyphenyl)methanimine
CID 50905580
1-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)methanimine
CID 23761418
2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol
CID 137021949
N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126216170
4-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol
CID 136693653
4-[[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol
CID 174598754
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126215718
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 126222908
N-(4-ethylphenyl)-1-(3-methoxyphenyl)methanimine
CID 126208711
5-[2-(4-ethylphenyl)ethynyl]-1,2,3-trimethoxybenzene
CID 10590035
(E)-1-(4-ethylphenyl)-N-methoxymethanimine
CID 89096123

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)methanimine?
The IUPAC name of 1-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)methanimine (CID 7326664) is 1-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)methanimine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)methanimine?
The canonical SMILES for 1-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)methanimine is CCc1ccc(/C=N/c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)methanimine?
The InChIKey is WJGVGDBKEDJJJD-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H21NO3/c1-5-13-6-8-14(9-7-13)12-19-15-10-16(20-2)18(22-4)17(11-15)21-3/h6-12H,5H2,1-4H3/b19-12+.
What are the key properties of 1-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)methanimine?
1-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)methanimine has a molecular weight of 299.37 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)methanimine is sourced from PubChem (CID 7326664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).