(E)-1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethanimine

C25H24ClNO — CID 13282540

IUPAC(E)-1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethanimine
SMILESCc1c(CO/N=C(\CC2CC2)c2ccc(Cl)cc2)cccc1-c1ccccc1
InChIInChI=1S/C25H24ClNO/c1-18-22(8-5-9-24(18)20-6-3-2-4-7-20)17-28-27-25(16-19-10-11-19)21-12-14-23(26)15-13-21/h2-9,12-15,19H,10-11,16-17H2,1H3/b27-25+
InChIKeyBORNSDNHDOLOHI-IMVLJIQESA-N
MW389.93 g/mol
LogP7.04
Rot. Bonds7

About (E)-1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethanimine

(E)-1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethanimine (PubChem CID 13282540) has the molecular formula C25H24ClNO and a molecular weight of 389.93 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethanimine
PubChem CID13282540
Molecular FormulaC25H24ClNO
Molecular Weight389.93 g/mol
Exact Mass389.15
IUPAC Name(E)-1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethanimine
SMILESCc1c(CO/N=C(\CC2CC2)c2ccc(Cl)cc2)cccc1-c1ccccc1
InChIInChI=1S/C25H24ClNO/c1-18-22(8-5-9-24(18)20-6-3-2-4-7-20)17-28-27-25(16-19-10-11-19)21-12-14-23(26)15-13-21/h2-9,12-15,19H,10-11,16-17H2,1H3/b27-25+
InChIKeyBORNSDNHDOLOHI-IMVLJIQESA-N
XLogP7.04
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.93
LogP ≤ 57.04
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)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethanimine?
The IUPAC name of (E)-1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethanimine (CID 13282540) is (E)-1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethanimine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethanimine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethanimine is Cc1c(CO/N=C(\CC2CC2)c2ccc(Cl)cc2)cccc1-c1ccccc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethanimine?
The InChIKey is BORNSDNHDOLOHI-IMVLJIQESA-N. The full InChI is InChI=1S/C25H24ClNO/c1-18-22(8-5-9-24(18)20-6-3-2-4-7-20)17-28-27-25(16-19-10-11-19)21-12-14-23(26)15-13-21/h2-9,12-15,19H,10-11,16-17H2,1H3/b27-25+.
What are the key properties of (E)-1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethanimine?
(E)-1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethanimine has a molecular weight of 389.93 g/mol, XLogP of 7.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-2-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]ethanimine is sourced from PubChem (CID 13282540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).