(E)-1-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)methoxy]butan-1-imine

C21H27NO — CID 59603400

IUPAC(E)-1-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)methoxy]butan-1-imine
SMILESCCC/C(=N\OCc1ccc(C)cc1C)c1ccc(C)cc1C
InChIInChI=1S/C21H27NO/c1-6-7-21(20-11-9-16(3)13-18(20)5)22-23-14-19-10-8-15(2)12-17(19)4/h8-13H,6-7,14H2,1-5H3/b22-21+
InChIKeyUEVZGACUUXMHQQ-QURGRASLSA-N
MW309.45 g/mol
LogP5.64
Rot. Bonds6

About (E)-1-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)methoxy]butan-1-imine

(E)-1-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)methoxy]butan-1-imine (PubChem CID 59603400) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (E)-1-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)methoxy]butan-1-imine.

Molecular Properties

Compound Name(E)-1-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)methoxy]butan-1-imine
PubChem CID59603400
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(E)-1-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)methoxy]butan-1-imine
SMILESCCC/C(=N\OCc1ccc(C)cc1C)c1ccc(C)cc1C
InChIInChI=1S/C21H27NO/c1-6-7-21(20-11-9-16(3)13-18(20)5)22-23-14-19-10-8-15(2)12-17(19)4/h8-13H,6-7,14H2,1-5H3/b22-21+
InChIKeyUEVZGACUUXMHQQ-QURGRASLSA-N
XLogP5.64
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)methoxy]butan-1-imine?
The IUPAC name of (E)-1-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)methoxy]butan-1-imine (CID 59603400) is (E)-1-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)methoxy]butan-1-imine.
What is the SMILES notation for (E)-1-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)methoxy]butan-1-imine?
The canonical SMILES for (E)-1-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)methoxy]butan-1-imine is CCC/C(=N\OCc1ccc(C)cc1C)c1ccc(C)cc1C.
What is the InChIKey of (E)-1-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)methoxy]butan-1-imine?
The InChIKey is UEVZGACUUXMHQQ-QURGRASLSA-N. The full InChI is InChI=1S/C21H27NO/c1-6-7-21(20-11-9-16(3)13-18(20)5)22-23-14-19-10-8-15(2)12-17(19)4/h8-13H,6-7,14H2,1-5H3/b22-21+.
What are the key properties of (E)-1-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)methoxy]butan-1-imine?
(E)-1-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)methoxy]butan-1-imine has a molecular weight of 309.45 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)methoxy]butan-1-imine is sourced from PubChem (CID 59603400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).