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

C25H22F3NO — CID 13282529

IUPAC(E)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESCc1c(CO/N=C(/c2ccc(C(F)(F)F)cc2)C2CC2)cccc1-c1ccccc1
InChIInChI=1S/C25H22F3NO/c1-17-21(8-5-9-23(17)18-6-3-2-4-7-18)16-30-29-24(19-10-11-19)20-12-14-22(15-13-20)25(26,27)28/h2-9,12-15,19H,10-11,16H2,1H3/b29-24+
InChIKeyJDRGDAFVYYRQRT-RMLRFSFXSA-N
MW409.45 g/mol
LogP7.01
Rot. Bonds6

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

(E)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 13282529) has the molecular formula C25H22F3NO and a molecular weight of 409.45 g/mol. Its IUPAC name is (E)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name(E)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID13282529
Molecular FormulaC25H22F3NO
Molecular Weight409.45 g/mol
Exact Mass409.17
IUPAC Name(E)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESCc1c(CO/N=C(/c2ccc(C(F)(F)F)cc2)C2CC2)cccc1-c1ccccc1
InChIInChI=1S/C25H22F3NO/c1-17-21(8-5-9-23(17)18-6-3-2-4-7-18)16-30-29-24(19-10-11-19)20-12-14-22(15-13-20)25(26,27)28/h2-9,12-15,19H,10-11,16H2,1H3/b29-24+
InChIKeyJDRGDAFVYYRQRT-RMLRFSFXSA-N
XLogP7.01
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 57.01
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'}

Analyze (E)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of (E)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanimine (CID 13282529) is (E)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for (E)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for (E)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanimine is Cc1c(CO/N=C(/c2ccc(C(F)(F)F)cc2)C2CC2)cccc1-c1ccccc1.
What is the InChIKey of (E)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is JDRGDAFVYYRQRT-RMLRFSFXSA-N. The full InChI is InChI=1S/C25H22F3NO/c1-17-21(8-5-9-23(17)18-6-3-2-4-7-18)16-30-29-24(19-10-11-19)20-12-14-22(15-13-20)25(26,27)28/h2-9,12-15,19H,10-11,16H2,1H3/b29-24+.
What are the key properties of (E)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanimine?
(E)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 409.45 g/mol, XLogP of 7.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 13282529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).