(E)-1-(2-methyl-6-phenylphenyl)-N-phenylmethoxyethanimine

C22H21NO — CID 135059524

IUPAC(E)-1-(2-methyl-6-phenylphenyl)-N-phenylmethoxyethanimine
SMILESC/C(=N\OCc1ccccc1)c1c(C)cccc1-c1ccccc1
InChIInChI=1S/C22H21NO/c1-17-10-9-15-21(20-13-7-4-8-14-20)22(17)18(2)23-24-16-19-11-5-3-6-12-19/h3-15H,16H2,1-2H3/b23-18+
InChIKeyQTRBHGOPVHKFCQ-PTGBLXJZSA-N
MW315.42 g/mol
LogP5.60
Rot. Bonds5

About (E)-1-(2-methyl-6-phenylphenyl)-N-phenylmethoxyethanimine

(E)-1-(2-methyl-6-phenylphenyl)-N-phenylmethoxyethanimine (PubChem CID 135059524) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is (E)-1-(2-methyl-6-phenylphenyl)-N-phenylmethoxyethanimine.

Molecular Properties

Compound Name(E)-1-(2-methyl-6-phenylphenyl)-N-phenylmethoxyethanimine
PubChem CID135059524
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name(E)-1-(2-methyl-6-phenylphenyl)-N-phenylmethoxyethanimine
SMILESC/C(=N\OCc1ccccc1)c1c(C)cccc1-c1ccccc1
InChIInChI=1S/C22H21NO/c1-17-10-9-15-21(20-13-7-4-8-14-20)22(17)18(2)23-24-16-19-11-5-3-6-12-19/h3-15H,16H2,1-2H3/b23-18+
InChIKeyQTRBHGOPVHKFCQ-PTGBLXJZSA-N
XLogP5.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.60
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-(2-methyl-6-phenylphenyl)-N-phenylmethoxyethanimine 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-(2-methyl-6-phenylphenyl)-N-phenylmethoxyethanimine?
The IUPAC name of (E)-1-(2-methyl-6-phenylphenyl)-N-phenylmethoxyethanimine (CID 135059524) is (E)-1-(2-methyl-6-phenylphenyl)-N-phenylmethoxyethanimine.
What is the SMILES notation for (E)-1-(2-methyl-6-phenylphenyl)-N-phenylmethoxyethanimine?
The canonical SMILES for (E)-1-(2-methyl-6-phenylphenyl)-N-phenylmethoxyethanimine is C/C(=N\OCc1ccccc1)c1c(C)cccc1-c1ccccc1.
What is the InChIKey of (E)-1-(2-methyl-6-phenylphenyl)-N-phenylmethoxyethanimine?
The InChIKey is QTRBHGOPVHKFCQ-PTGBLXJZSA-N. The full InChI is InChI=1S/C22H21NO/c1-17-10-9-15-21(20-13-7-4-8-14-20)22(17)18(2)23-24-16-19-11-5-3-6-12-19/h3-15H,16H2,1-2H3/b23-18+.
What are the key properties of (E)-1-(2-methyl-6-phenylphenyl)-N-phenylmethoxyethanimine?
(E)-1-(2-methyl-6-phenylphenyl)-N-phenylmethoxyethanimine has a molecular weight of 315.42 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-methyl-6-phenylphenyl)-N-phenylmethoxyethanimine is sourced from PubChem (CID 135059524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).