1-(4-chlorophenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]-1-phenylmethanimine

C25H26ClNO — CID 2803433

IUPAC1-(4-chlorophenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]-1-phenylmethanimine
SMILESCc1c(C)c(C)c(CON=C(c2ccccc2)c2ccc(Cl)cc2)c(C)c1C
InChIInChI=1S/C25H26ClNO/c1-16-17(2)19(4)24(20(5)18(16)3)15-28-27-25(21-9-7-6-8-10-21)22-11-13-23(26)14-12-22/h6-14H,15H2,1-5H3
InChIKeyACQFBLWSZWSIRC-UHFFFAOYSA-N
MW391.94 g/mol
LogP6.85
Rot. Bonds5

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

1-(4-chlorophenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]-1-phenylmethanimine (PubChem CID 2803433) has the molecular formula C25H26ClNO and a molecular weight of 391.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]-1-phenylmethanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]-1-phenylmethanimine
PubChem CID2803433
Molecular FormulaC25H26ClNO
Molecular Weight391.94 g/mol
Exact Mass391.17
IUPAC Name1-(4-chlorophenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]-1-phenylmethanimine
SMILESCc1c(C)c(C)c(CON=C(c2ccccc2)c2ccc(Cl)cc2)c(C)c1C
InChIInChI=1S/C25H26ClNO/c1-16-17(2)19(4)24(20(5)18(16)3)15-28-27-25(21-9-7-6-8-10-21)22-11-13-23(26)14-12-22/h6-14H,15H2,1-5H3
InChIKeyACQFBLWSZWSIRC-UHFFFAOYSA-N
XLogP6.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.94
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chlorophenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]-1-phenylmethanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]-1-phenylmethanimine (CID 2803433) is 1-(4-chlorophenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]-1-phenylmethanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]-1-phenylmethanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]-1-phenylmethanimine is Cc1c(C)c(C)c(CON=C(c2ccccc2)c2ccc(Cl)cc2)c(C)c1C.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]-1-phenylmethanimine?
The InChIKey is ACQFBLWSZWSIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClNO/c1-16-17(2)19(4)24(20(5)18(16)3)15-28-27-25(21-9-7-6-8-10-21)22-11-13-23(26)14-12-22/h6-14H,15H2,1-5H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]-1-phenylmethanimine?
1-(4-chlorophenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]-1-phenylmethanimine has a molecular weight of 391.94 g/mol, XLogP of 6.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]-1-phenylmethanimine is sourced from PubChem (CID 2803433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).