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

C24H22ClNO — CID 5491592

IUPAC(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine
SMILESCc1c(CO/N=C(/c2ccc(Cl)cc2)C2CC2)cccc1-c1ccccc1
InChIInChI=1S/C24H22ClNO/c1-17-21(8-5-9-23(17)18-6-3-2-4-7-18)16-27-26-24(19-10-11-19)20-12-14-22(25)15-13-20/h2-9,12-15,19H,10-11,16H2,1H3/b26-24+
InChIKeyAPYFBBYBFWYCMM-SHHOIMCASA-N
MW375.90 g/mol
LogP6.65
Rot. Bonds6

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

(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine (PubChem CID 5491592) has the molecular formula C24H22ClNO and a molecular weight of 375.90 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine
PubChem CID5491592
Molecular FormulaC24H22ClNO
Molecular Weight375.90 g/mol
Exact Mass375.14
IUPAC Name(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine
SMILESCc1c(CO/N=C(/c2ccc(Cl)cc2)C2CC2)cccc1-c1ccccc1
InChIInChI=1S/C24H22ClNO/c1-17-21(8-5-9-23(17)18-6-3-2-4-7-18)16-27-26-24(19-10-11-19)20-12-14-22(25)15-13-20/h2-9,12-15,19H,10-11,16H2,1H3/b26-24+
InChIKeyAPYFBBYBFWYCMM-SHHOIMCASA-N
XLogP6.65
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 56.65
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-methyl-3-phenylphenyl)methoxy]methanimine?
The IUPAC name of (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine (CID 5491592) is (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine is Cc1c(CO/N=C(/c2ccc(Cl)cc2)C2CC2)cccc1-c1ccccc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine?
The InChIKey is APYFBBYBFWYCMM-SHHOIMCASA-N. The full InChI is InChI=1S/C24H22ClNO/c1-17-21(8-5-9-23(17)18-6-3-2-4-7-18)16-27-26-24(19-10-11-19)20-12-14-22(25)15-13-20/h2-9,12-15,19H,10-11,16H2,1H3/b26-24+.
What are the key properties of (E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine?
(E)-1-(4-chlorophenyl)-1-cyclopropyl-N-[(2-methyl-3-phenylphenyl)methoxy]methanimine has a molecular weight of 375.90 g/mol, XLogP of 6.65, 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-methyl-3-phenylphenyl)methoxy]methanimine is sourced from PubChem (CID 5491592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).