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

C24H21Cl2NO — CID 13282537

IUPAC(E)-1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine
SMILESCc1c(CO/N=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/b27-24+
InChIKeyQEGRUCCAOPRQLO-SOYKGTTHSA-N
MW410.34 g/mol
LogP7.30
Rot. Bonds6

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

(E)-1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine (PubChem CID 13282537) has the molecular formula C24H21Cl2NO and a molecular weight of 410.34 g/mol. Its IUPAC name is (E)-1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine
PubChem CID13282537
Molecular FormulaC24H21Cl2NO
Molecular Weight410.34 g/mol
Exact Mass409.10
IUPAC Name(E)-1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine
SMILESCc1c(CO/N=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/b27-24+
InChIKeyQEGRUCCAOPRQLO-SOYKGTTHSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine?
The IUPAC name of (E)-1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine (CID 13282537) is (E)-1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine.
What is the SMILES notation for (E)-1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine?
The canonical SMILES for (E)-1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine is Cc1c(CO/N=C(/c2ccc(Cl)cc2Cl)C2CC2)cccc1-c1ccccc1.
What is the InChIKey of (E)-1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine?
The InChIKey is QEGRUCCAOPRQLO-SOYKGTTHSA-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/b27-24+.
What are the key properties of (E)-1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine?
(E)-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 (E)-1-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine is sourced from PubChem (CID 13282537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).