1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine

C24H21Cl2NO — CID 54223524

IUPAC1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine
SMILESCc1c(CON=C(c2ccc(Cl)cc2Cl)C2CC2)cccc1-c1ccccc1
InChIInChI=1S/C24H21Cl2NO/c1-16-19(8-5-9-21(16)17-6-3-2-4-7-17)15-28-27-24(18-10-11-18)22-13-12-20(25)14-23(22)26/h2-9,12-14,18H,10-11,15H2,1H3
InChIKeyQEGRUCCAOPRQLO-UHFFFAOYSA-N
MW410.34 g/mol
LogP7.30
Rot. Bonds6

About 1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine

1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine (PubChem CID 54223524) has the molecular formula C24H21Cl2NO and a molecular weight of 410.34 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine.

Molecular Properties

Compound Name1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine
PubChem CID54223524
Molecular FormulaC24H21Cl2NO
Molecular Weight410.34 g/mol
Exact Mass409.10
IUPAC Name1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine
SMILESCc1c(CON=C(c2ccc(Cl)cc2Cl)C2CC2)cccc1-c1ccccc1
InChIInChI=1S/C24H21Cl2NO/c1-16-19(8-5-9-21(16)17-6-3-2-4-7-17)15-28-27-24(18-10-11-18)22-13-12-20(25)14-23(22)26/h2-9,12-14,18H,10-11,15H2,1H3
InChIKeyQEGRUCCAOPRQLO-UHFFFAOYSA-N
XLogP7.30
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.34
LogP ≤ 57.30
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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Related Compounds

1-(1-adamantyl)-N-[(2,4-dichlorophenyl)methoxy]-1-phenyl-methanimine
CID 9579226
4-(4-chlorophenyl)-1H-2,3-benzoxazine
CID 11402268
1-(4-chlorophenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]-1-phenylmethanimine
CID 2803433
(Z)-1-(4-chlorophenyl)-N-[(2,3,4,5,6-pentamethylphenyl)methoxy]-1-phenylmethanimine
CID 5713486
4-(2-chlorophenyl)-1H-2,3-benzoxazine
CID 76312590
(E)-(4-Chlorophenyl)(cyclopropyl)methanone O-((2-methyl[biphenyl]-3-yl)methyl)oxime
CID 5491592
1-(4-Chlorophenyl)-1-cyclopropyl-n-((2-methyl-3-phenylphenyl)methoxy)methanimine
CID 9578050
(E)-(4-chlorophenyl)(cyclopropyl)methanone O-[(2,4,6-trifluoro[1,1'-biphenyl]-3-yl)methyl]oxime
CID 13282521
(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanimine
CID 13282522
(E)-(4-chlorophenyl)(cyclopropyl)methanone O-[(2,6-difluoro[1,1'-biphenyl]-3-yl)methyl]oxime
CID 20469191
1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4-difluoro-3-phenylphenyl)methoxy]methanimine
CID 53670611
1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4,6-trifluoro-3-phenylphenyl)methoxy]methanimine
CID 53777003

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine?
The IUPAC name of 1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine (CID 54223524) is 1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine.
What is the SMILES notation for 1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine?
The canonical SMILES for 1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine is Cc1c(CON=C(c2ccc(Cl)cc2Cl)C2CC2)cccc1-c1ccccc1.
What is the InChIKey of 1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine?
The InChIKey is QEGRUCCAOPRQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO/c1-16-19(8-5-9-21(16)17-6-3-2-4-7-17)15-28-27-24(18-10-11-18)22-13-12-20(25)14-23(22)26/h2-9,12-14,18H,10-11,15H2,1H3.
What are the key properties of 1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine?
1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine has a molecular weight of 410.34 g/mol, XLogP of 7.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine is sourced from PubChem (CID 54223524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).