(E)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-3-phenylprop-2-en-1-imine

C24H23N — CID 102368885

IUPAC(E)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-3-phenylprop-2-en-1-imine
SMILESCc1ccc(C(/C=C/c2ccccc2)=N/c2c(C)cccc2C)cc1
InChIInChI=1S/C24H23N/c1-18-12-15-22(16-13-18)23(17-14-21-10-5-4-6-11-21)25-24-19(2)8-7-9-20(24)3/h4-17H,1-3H3/b17-14+,25-23+
InChIKeyJMRDRQXZMYYZQL-UGPUUWOHSA-N
MW325.45 g/mol
LogP6.45
Rot. Bonds4

About (E)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-3-phenylprop-2-en-1-imine

(E)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-3-phenylprop-2-en-1-imine (PubChem CID 102368885) has the molecular formula C24H23N and a molecular weight of 325.45 g/mol. Its IUPAC name is (E)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-3-phenylprop-2-en-1-imine
PubChem CID102368885
Molecular FormulaC24H23N
Molecular Weight325.45 g/mol
Exact Mass325.18
IUPAC Name(E)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-3-phenylprop-2-en-1-imine
SMILESCc1ccc(C(/C=C/c2ccccc2)=N/c2c(C)cccc2C)cc1
InChIInChI=1S/C24H23N/c1-18-12-15-22(16-13-18)23(17-14-21-10-5-4-6-11-21)25-24-19(2)8-7-9-20(24)3/h4-17H,1-3H3/b17-14+,25-23+
InChIKeyJMRDRQXZMYYZQL-UGPUUWOHSA-N
XLogP6.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 56.45
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)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]thiourea
CID 54576742
methane;N-methyl-1,3-diphenylprop-2-en-1-imine
CID 159060936
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900
1-hydroxy-1-(4-methylphenyl)-4-phenylbut-3-en-2-one
CID 4661079
(4-methylphenyl) (E)-N-(2,6-dimethylphenyl)-2-oxo-5-phenylpent-4-enimidotelluroate
CID 134920254
(NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine
CID 102079705
(E)-N-(2-iodophenyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-imine
CID 102174033
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
1,4-bis[(1E,3E)-1-(4-methylphenyl)-4-phenylbuta-1,3-dienyl]benzene
CID 11730962
(Z,E)-1-(4-fluorophenyl)-N-methoxy-3-phenylprop-2-en-1-imine
CID 102344328
(2Z,4E)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 54612350
(2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 92526505

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-3-phenylprop-2-en-1-imine?
The IUPAC name of (E)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-3-phenylprop-2-en-1-imine (CID 102368885) is (E)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-3-phenylprop-2-en-1-imine.
What is the SMILES notation for (E)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-3-phenylprop-2-en-1-imine?
The canonical SMILES for (E)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-3-phenylprop-2-en-1-imine is Cc1ccc(C(/C=C/c2ccccc2)=N/c2c(C)cccc2C)cc1.
What is the InChIKey of (E)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-3-phenylprop-2-en-1-imine?
The InChIKey is JMRDRQXZMYYZQL-UGPUUWOHSA-N. The full InChI is InChI=1S/C24H23N/c1-18-12-15-22(16-13-18)23(17-14-21-10-5-4-6-11-21)25-24-19(2)8-7-9-20(24)3/h4-17H,1-3H3/b17-14+,25-23+.
What are the key properties of (E)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-3-phenylprop-2-en-1-imine?
(E)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-3-phenylprop-2-en-1-imine has a molecular weight of 325.45 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 102368885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).