(Z)-N-(2,3-dimethylphenyl)-3-phenylprop-2-en-1-imine

C17H17N — CID 92527174

IUPAC(Z)-N-(2,3-dimethylphenyl)-3-phenylprop-2-en-1-imine
SMILESCc1cccc(/N=C/C=C\c2ccccc2)c1C
InChIInChI=1S/C17H17N/c1-14-8-6-12-17(15(14)2)18-13-7-11-16-9-4-3-5-10-16/h3-13H,1-2H3/b11-7-,18-13+
InChIKeyVMXNOIDTGYMKJI-ZFOVROJDSA-N
MW235.33 g/mol
LogP4.72
Rot. Bonds3

About (Z)-N-(2,3-dimethylphenyl)-3-phenylprop-2-en-1-imine

(Z)-N-(2,3-dimethylphenyl)-3-phenylprop-2-en-1-imine (PubChem CID 92527174) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is (Z)-N-(2,3-dimethylphenyl)-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(2,3-dimethylphenyl)-3-phenylprop-2-en-1-imine
PubChem CID92527174
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name(Z)-N-(2,3-dimethylphenyl)-3-phenylprop-2-en-1-imine
SMILESCc1cccc(/N=C/C=C\c2ccccc2)c1C
InChIInChI=1S/C17H17N/c1-14-8-6-12-17(15(14)2)18-13-7-11-16-9-4-3-5-10-16/h3-13H,1-2H3/b11-7-,18-13+
InChIKeyVMXNOIDTGYMKJI-ZFOVROJDSA-N
XLogP4.72
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 ≤ 54.72
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 (Z)-N-(2,3-dimethylphenyl)-3-phenylprop-2-en-1-imine?
The IUPAC name of (Z)-N-(2,3-dimethylphenyl)-3-phenylprop-2-en-1-imine (CID 92527174) is (Z)-N-(2,3-dimethylphenyl)-3-phenylprop-2-en-1-imine.
What is the SMILES notation for (Z)-N-(2,3-dimethylphenyl)-3-phenylprop-2-en-1-imine?
The canonical SMILES for (Z)-N-(2,3-dimethylphenyl)-3-phenylprop-2-en-1-imine is Cc1cccc(/N=C/C=C\c2ccccc2)c1C.
What is the InChIKey of (Z)-N-(2,3-dimethylphenyl)-3-phenylprop-2-en-1-imine?
The InChIKey is VMXNOIDTGYMKJI-ZFOVROJDSA-N. The full InChI is InChI=1S/C17H17N/c1-14-8-6-12-17(15(14)2)18-13-7-11-16-9-4-3-5-10-16/h3-13H,1-2H3/b11-7-,18-13+.
What are the key properties of (Z)-N-(2,3-dimethylphenyl)-3-phenylprop-2-en-1-imine?
(Z)-N-(2,3-dimethylphenyl)-3-phenylprop-2-en-1-imine has a molecular weight of 235.33 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,3-dimethylphenyl)-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 92527174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).