(E)-1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]propan-1-imine

C24H24ClNO — CID 13282541

IUPAC(E)-1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]propan-1-imine
SMILESCc1c(CO/N=C(/c2ccc(Cl)cc2)C(C)C)cccc1-c1ccccc1
InChIInChI=1S/C24H24ClNO/c1-17(2)24(20-12-14-22(25)15-13-20)26-27-16-21-10-7-11-23(18(21)3)19-8-5-4-6-9-19/h4-15,17H,16H2,1-3H3/b26-24+
InChIKeyKEEJCBDKTOYVKX-SHHOIMCASA-N
MW377.92 g/mol
LogP6.89
Rot. Bonds6

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

(E)-1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]propan-1-imine (PubChem CID 13282541) has the molecular formula C24H24ClNO and a molecular weight of 377.92 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]propan-1-imine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]propan-1-imine
PubChem CID13282541
Molecular FormulaC24H24ClNO
Molecular Weight377.92 g/mol
Exact Mass377.15
IUPAC Name(E)-1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]propan-1-imine
SMILESCc1c(CO/N=C(/c2ccc(Cl)cc2)C(C)C)cccc1-c1ccccc1
InChIInChI=1S/C24H24ClNO/c1-17(2)24(20-12-14-22(25)15-13-20)26-27-16-21-10-7-11-23(18(21)3)19-8-5-4-6-9-19/h4-15,17H,16H2,1-3H3/b26-24+
InChIKeyKEEJCBDKTOYVKX-SHHOIMCASA-N
XLogP6.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 56.89
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-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]propan-1-imine 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-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]propan-1-imine?
The IUPAC name of (E)-1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]propan-1-imine (CID 13282541) is (E)-1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]propan-1-imine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]propan-1-imine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]propan-1-imine is Cc1c(CO/N=C(/c2ccc(Cl)cc2)C(C)C)cccc1-c1ccccc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]propan-1-imine?
The InChIKey is KEEJCBDKTOYVKX-SHHOIMCASA-N. The full InChI is InChI=1S/C24H24ClNO/c1-17(2)24(20-12-14-22(25)15-13-20)26-27-16-21-10-7-11-23(18(21)3)19-8-5-4-6-9-19/h4-15,17H,16H2,1-3H3/b26-24+.
What are the key properties of (E)-1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]propan-1-imine?
(E)-1-(4-chlorophenyl)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]propan-1-imine has a molecular weight of 377.92 g/mol, XLogP of 6.89, 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)-2-methyl-N-[(2-methyl-3-phenylphenyl)methoxy]propan-1-imine is sourced from PubChem (CID 13282541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).