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

C17H17N — CID 6302344

IUPAC(E)-N-(3,5-dimethylphenyl)-3-phenylprop-2-en-1-imine
SMILESCc1cc(C)cc(/N=C/C=C/c2ccccc2)c1
InChIInChI=1S/C17H17N/c1-14-11-15(2)13-17(12-14)18-10-6-9-16-7-4-3-5-8-16/h3-13H,1-2H3/b9-6+,18-10+
InChIKeyMEKNFACBVJEDJL-XICJKMHVSA-N
MW235.33 g/mol
LogP4.72
Rot. Bonds3

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

(E)-N-(3,5-dimethylphenyl)-3-phenylprop-2-en-1-imine (PubChem CID 6302344) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is (E)-N-(3,5-dimethylphenyl)-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-(3,5-dimethylphenyl)-3-phenylprop-2-en-1-imine
PubChem CID6302344
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name(E)-N-(3,5-dimethylphenyl)-3-phenylprop-2-en-1-imine
SMILESCc1cc(C)cc(/N=C/C=C/c2ccccc2)c1
InChIInChI=1S/C17H17N/c1-14-11-15(2)13-17(12-14)18-10-6-9-16-7-4-3-5-8-16/h3-13H,1-2H3/b9-6+,18-10+
InChIKeyMEKNFACBVJEDJL-XICJKMHVSA-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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Related Compounds

(Z)-N,3-diphenylprop-2-en-1-imine
CID 40507555
N-(4-iodophenyl)-3-phenylprop-2-en-1-imine
CID 554999
(E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine
CID 6247301
(Z)-N-(2,3-dimethylphenyl)-3-phenylprop-2-en-1-imine
CID 92527174
1-[4-(cinnamylideneamino)phenyl]ethanone
CID 3705604
N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-phenylprop-2-en-1-imine
CID 3524609
(E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine
CID 135076458
5-(cinnamylideneamino)-1,3-dimethylbenzimidazol-2-one
CID 171140821
4-[[(Z)-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 93012826
[4-(cinnamylideneamino)phenyl] thiocyanate
CID 165354730
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,5-dimethylphenyl)-3-phenylprop-2-en-1-imine?
The IUPAC name of (E)-N-(3,5-dimethylphenyl)-3-phenylprop-2-en-1-imine (CID 6302344) is (E)-N-(3,5-dimethylphenyl)-3-phenylprop-2-en-1-imine.
What is the SMILES notation for (E)-N-(3,5-dimethylphenyl)-3-phenylprop-2-en-1-imine?
The canonical SMILES for (E)-N-(3,5-dimethylphenyl)-3-phenylprop-2-en-1-imine is Cc1cc(C)cc(/N=C/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-N-(3,5-dimethylphenyl)-3-phenylprop-2-en-1-imine?
The InChIKey is MEKNFACBVJEDJL-XICJKMHVSA-N. The full InChI is InChI=1S/C17H17N/c1-14-11-15(2)13-17(12-14)18-10-6-9-16-7-4-3-5-8-16/h3-13H,1-2H3/b9-6+,18-10+.
What are the key properties of (E)-N-(3,5-dimethylphenyl)-3-phenylprop-2-en-1-imine?
(E)-N-(3,5-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 (E)-N-(3,5-dimethylphenyl)-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 6302344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).