1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine

C21H19N — CID 101171806

IUPAC1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine
SMILESC/C(=N\c1ccccc1-c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C21H19N/c1-16-9-8-12-19(15-16)17(2)22-21-14-7-6-13-20(21)18-10-4-3-5-11-18/h3-15H,1-2H3/b22-17+
InChIKeyDIQSYGDEAZDQMS-OQKWZONESA-N
MW285.39 g/mol
LogP5.80
Rot. Bonds3

About 1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine

1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine (PubChem CID 101171806) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine
PubChem CID101171806
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine
SMILESC/C(=N\c1ccccc1-c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C21H19N/c1-16-9-8-12-19(15-16)17(2)22-21-14-7-6-13-20(21)18-10-4-3-5-11-18/h3-15H,1-2H3/b22-17+
InChIKeyDIQSYGDEAZDQMS-OQKWZONESA-N
XLogP5.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine?
The IUPAC name of 1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine (CID 101171806) is 1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine.
What is the SMILES notation for 1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine?
The canonical SMILES for 1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine is C/C(=N\c1ccccc1-c1ccccc1)c1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine?
The InChIKey is DIQSYGDEAZDQMS-OQKWZONESA-N. The full InChI is InChI=1S/C21H19N/c1-16-9-8-12-19(15-16)17(2)22-21-14-7-6-13-20(21)18-10-4-3-5-11-18/h3-15H,1-2H3/b22-17+.
What are the key properties of 1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine?
1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine has a molecular weight of 285.39 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine is sourced from PubChem (CID 101171806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).