(E)-2-methyl-N-(2-methylphenyl)-3-phenylprop-2-en-1-imine

C17H17N — CID 15892281

IUPAC(E)-2-methyl-N-(2-methylphenyl)-3-phenylprop-2-en-1-imine
SMILESCC(/C=N/c1ccccc1C)=C\c1ccccc1
InChIInChI=1S/C17H17N/c1-14(12-16-9-4-3-5-10-16)13-18-17-11-7-6-8-15(17)2/h3-13H,1-2H3/b14-12+,18-13+
InChIKeyQRFNXPXHRZUOLX-FBRLRESOSA-N
MW235.33 g/mol
LogP4.80
Rot. Bonds3

About (E)-2-methyl-N-(2-methylphenyl)-3-phenylprop-2-en-1-imine

(E)-2-methyl-N-(2-methylphenyl)-3-phenylprop-2-en-1-imine (PubChem CID 15892281) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is (E)-2-methyl-N-(2-methylphenyl)-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-methyl-N-(2-methylphenyl)-3-phenylprop-2-en-1-imine
PubChem CID15892281
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name(E)-2-methyl-N-(2-methylphenyl)-3-phenylprop-2-en-1-imine
SMILESCC(/C=N/c1ccccc1C)=C\c1ccccc1
InChIInChI=1S/C17H17N/c1-14(12-16-9-4-3-5-10-16)13-18-17-11-7-6-8-15(17)2/h3-13H,1-2H3/b14-12+,18-13+
InChIKeyQRFNXPXHRZUOLX-FBRLRESOSA-N
XLogP4.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.80
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 (E)-2-methyl-N-(2-methylphenyl)-3-phenylprop-2-en-1-imine?
The IUPAC name of (E)-2-methyl-N-(2-methylphenyl)-3-phenylprop-2-en-1-imine (CID 15892281) is (E)-2-methyl-N-(2-methylphenyl)-3-phenylprop-2-en-1-imine.
What is the SMILES notation for (E)-2-methyl-N-(2-methylphenyl)-3-phenylprop-2-en-1-imine?
The canonical SMILES for (E)-2-methyl-N-(2-methylphenyl)-3-phenylprop-2-en-1-imine is CC(/C=N/c1ccccc1C)=C\c1ccccc1.
What is the InChIKey of (E)-2-methyl-N-(2-methylphenyl)-3-phenylprop-2-en-1-imine?
The InChIKey is QRFNXPXHRZUOLX-FBRLRESOSA-N. The full InChI is InChI=1S/C17H17N/c1-14(12-16-9-4-3-5-10-16)13-18-17-11-7-6-8-15(17)2/h3-13H,1-2H3/b14-12+,18-13+.
What are the key properties of (E)-2-methyl-N-(2-methylphenyl)-3-phenylprop-2-en-1-imine?
(E)-2-methyl-N-(2-methylphenyl)-3-phenylprop-2-en-1-imine has a molecular weight of 235.33 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-(2-methylphenyl)-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 15892281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).