(E)-N-(2,5-dimethylphenyl)-3-(3-methylphenyl)prop-2-en-1-imine

C18H19N — CID 142386842

IUPAC(E)-N-(2,5-dimethylphenyl)-3-(3-methylphenyl)prop-2-en-1-imine
SMILESCc1cccc(/C=C/C=N/c2cc(C)ccc2C)c1
InChIInChI=1S/C18H19N/c1-14-6-4-7-17(12-14)8-5-11-19-18-13-15(2)9-10-16(18)3/h4-13H,1-3H3/b8-5+,19-11+
InChIKeyWLYWIOQEHNRBIG-CEGJKDKLSA-N
MW249.36 g/mol
LogP5.03
Rot. Bonds3

About (E)-N-(2,5-dimethylphenyl)-3-(3-methylphenyl)prop-2-en-1-imine

(E)-N-(2,5-dimethylphenyl)-3-(3-methylphenyl)prop-2-en-1-imine (PubChem CID 142386842) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is (E)-N-(2,5-dimethylphenyl)-3-(3-methylphenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-(2,5-dimethylphenyl)-3-(3-methylphenyl)prop-2-en-1-imine
PubChem CID142386842
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name(E)-N-(2,5-dimethylphenyl)-3-(3-methylphenyl)prop-2-en-1-imine
SMILESCc1cccc(/C=C/C=N/c2cc(C)ccc2C)c1
InChIInChI=1S/C18H19N/c1-14-6-4-7-17(12-14)8-5-11-19-18-13-15(2)9-10-16(18)3/h4-13H,1-3H3/b8-5+,19-11+
InChIKeyWLYWIOQEHNRBIG-CEGJKDKLSA-N
XLogP5.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.36
LogP ≤ 55.03
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 (E)-N-(2,5-dimethylphenyl)-3-(3-methylphenyl)prop-2-en-1-imine?
The IUPAC name of (E)-N-(2,5-dimethylphenyl)-3-(3-methylphenyl)prop-2-en-1-imine (CID 142386842) is (E)-N-(2,5-dimethylphenyl)-3-(3-methylphenyl)prop-2-en-1-imine.
What is the SMILES notation for (E)-N-(2,5-dimethylphenyl)-3-(3-methylphenyl)prop-2-en-1-imine?
The canonical SMILES for (E)-N-(2,5-dimethylphenyl)-3-(3-methylphenyl)prop-2-en-1-imine is Cc1cccc(/C=C/C=N/c2cc(C)ccc2C)c1.
What is the InChIKey of (E)-N-(2,5-dimethylphenyl)-3-(3-methylphenyl)prop-2-en-1-imine?
The InChIKey is WLYWIOQEHNRBIG-CEGJKDKLSA-N. The full InChI is InChI=1S/C18H19N/c1-14-6-4-7-17(12-14)8-5-11-19-18-13-15(2)9-10-16(18)3/h4-13H,1-3H3/b8-5+,19-11+.
What are the key properties of (E)-N-(2,5-dimethylphenyl)-3-(3-methylphenyl)prop-2-en-1-imine?
(E)-N-(2,5-dimethylphenyl)-3-(3-methylphenyl)prop-2-en-1-imine has a molecular weight of 249.36 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,5-dimethylphenyl)-3-(3-methylphenyl)prop-2-en-1-imine is sourced from PubChem (CID 142386842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).