1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]ethanimine

C21H27NO2 — CID 2803437

IUPAC1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]ethanimine
SMILESCOc1ccc(C(C)=NOCc2c(C)c(C)c(C)c(C)c2C)cc1
InChIInChI=1S/C21H27NO2/c1-13-14(2)16(4)21(17(5)15(13)3)12-24-22-18(6)19-8-10-20(23-7)11-9-19/h8-11H,12H2,1-7H3
InChIKeyLAVHDWJHYVYSGL-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.18
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]ethanimine

1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]ethanimine (PubChem CID 2803437) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]ethanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]ethanimine
PubChem CID2803437
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]ethanimine
SMILESCOc1ccc(C(C)=NOCc2c(C)c(C)c(C)c(C)c2C)cc1
InChIInChI=1S/C21H27NO2/c1-13-14(2)16(4)21(17(5)15(13)3)12-24-22-18(6)19-8-10-20(23-7)11-9-19/h8-11H,12H2,1-7H3
InChIKeyLAVHDWJHYVYSGL-UHFFFAOYSA-N
XLogP5.18
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]ethanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]ethanimine (CID 2803437) is 1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]ethanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]ethanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]ethanimine is COc1ccc(C(C)=NOCc2c(C)c(C)c(C)c(C)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]ethanimine?
The InChIKey is LAVHDWJHYVYSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-13-14(2)16(4)21(17(5)15(13)3)12-24-22-18(6)19-8-10-20(23-7)11-9-19/h8-11H,12H2,1-7H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]ethanimine?
1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]ethanimine has a molecular weight of 325.45 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]ethanimine is sourced from PubChem (CID 2803437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).