1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-2-phenylethanimine

C23H23N — CID 156568627

IUPAC1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-2-phenylethanimine
SMILESCc1ccc(/C(Cc2ccccc2)=N/c2ccccc2C)cc1C
InChIInChI=1S/C23H23N/c1-17-13-14-21(15-19(17)3)23(16-20-10-5-4-6-11-20)24-22-12-8-7-9-18(22)2/h4-15H,16H2,1-3H3/b24-23+
InChIKeySECZZWGIEYNQFB-WCWDXBQESA-N
MW313.44 g/mol
LogP5.98
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-2-phenylethanimine

1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-2-phenylethanimine (PubChem CID 156568627) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-2-phenylethanimine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-2-phenylethanimine
PubChem CID156568627
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-2-phenylethanimine
SMILESCc1ccc(/C(Cc2ccccc2)=N/c2ccccc2C)cc1C
InChIInChI=1S/C23H23N/c1-17-13-14-21(15-19(17)3)23(16-20-10-5-4-6-11-20)24-22-12-8-7-9-18(22)2/h4-15H,16H2,1-3H3/b24-23+
InChIKeySECZZWGIEYNQFB-WCWDXBQESA-N
XLogP5.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.98
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-(3,4-dimethylphenyl)-N-(2-methylphenyl)-2-phenylethanimine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-2-phenylethanimine (CID 156568627) is 1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-2-phenylethanimine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-2-phenylethanimine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-2-phenylethanimine is Cc1ccc(/C(Cc2ccccc2)=N/c2ccccc2C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-2-phenylethanimine?
The InChIKey is SECZZWGIEYNQFB-WCWDXBQESA-N. The full InChI is InChI=1S/C23H23N/c1-17-13-14-21(15-19(17)3)23(16-20-10-5-4-6-11-20)24-22-12-8-7-9-18(22)2/h4-15H,16H2,1-3H3/b24-23+.
What are the key properties of 1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-2-phenylethanimine?
1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-2-phenylethanimine has a molecular weight of 313.44 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-(2-methylphenyl)-2-phenylethanimine is sourced from PubChem (CID 156568627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).