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

C25H24ClNO — CID 13282526

IUPAC(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanimine
SMILESCc1ccc(CO/N=C(/c2ccc(Cl)cc2)C2CC2)c(C)c1-c1ccccc1
InChIInChI=1S/C25H24ClNO/c1-17-8-9-22(18(2)24(17)19-6-4-3-5-7-19)16-28-27-25(20-10-11-20)21-12-14-23(26)15-13-21/h3-9,12-15,20H,10-11,16H2,1-2H3/b27-25+
InChIKeyJAXRBXLOCZATLS-IMVLJIQESA-N
MW389.93 g/mol
LogP6.95
Rot. Bonds6

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

(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanimine (PubChem CID 13282526) has the molecular formula C25H24ClNO and a molecular weight of 389.93 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanimine
PubChem CID13282526
Molecular FormulaC25H24ClNO
Molecular Weight389.93 g/mol
Exact Mass389.15
IUPAC Name(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanimine
SMILESCc1ccc(CO/N=C(/c2ccc(Cl)cc2)C2CC2)c(C)c1-c1ccccc1
InChIInChI=1S/C25H24ClNO/c1-17-8-9-22(18(2)24(17)19-6-4-3-5-7-19)16-28-27-25(20-10-11-20)21-12-14-23(26)15-13-21/h3-9,12-15,20H,10-11,16H2,1-2H3/b27-25+
InChIKeyJAXRBXLOCZATLS-IMVLJIQESA-N
XLogP6.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.93
LogP ≤ 56.95
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-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanimine?
The IUPAC name of (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanimine (CID 13282526) is (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanimine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanimine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanimine is Cc1ccc(CO/N=C(/c2ccc(Cl)cc2)C2CC2)c(C)c1-c1ccccc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanimine?
The InChIKey is JAXRBXLOCZATLS-IMVLJIQESA-N. The full InChI is InChI=1S/C25H24ClNO/c1-17-8-9-22(18(2)24(17)19-6-4-3-5-7-19)16-28-27-25(20-10-11-20)21-12-14-23(26)15-13-21/h3-9,12-15,20H,10-11,16H2,1-2H3/b27-25+.
What are the key properties of (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanimine?
(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanimine has a molecular weight of 389.93 g/mol, XLogP of 6.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2,4-dimethyl-3-phenylphenyl)methoxy]methanimine is sourced from PubChem (CID 13282526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).