(E)-1-[4-(2-methylpropyl)phenyl]-N-phenoxyethanimine

C18H21NO — CID 134846129

IUPAC(E)-1-[4-(2-methylpropyl)phenyl]-N-phenoxyethanimine
SMILESC/C(=N\Oc1ccccc1)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H21NO/c1-14(2)13-16-9-11-17(12-10-16)15(3)19-20-18-7-5-4-6-8-18/h4-12,14H,13H2,1-3H3/b19-15+
InChIKeyFGXGHHQNVCLRMG-XDJHFCHBSA-N
MW267.37 g/mol
LogP4.69
Rot. Bonds5

About (E)-1-[4-(2-methylpropyl)phenyl]-N-phenoxyethanimine

(E)-1-[4-(2-methylpropyl)phenyl]-N-phenoxyethanimine (PubChem CID 134846129) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (E)-1-[4-(2-methylpropyl)phenyl]-N-phenoxyethanimine.

Molecular Properties

Compound Name(E)-1-[4-(2-methylpropyl)phenyl]-N-phenoxyethanimine
PubChem CID134846129
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(E)-1-[4-(2-methylpropyl)phenyl]-N-phenoxyethanimine
SMILESC/C(=N\Oc1ccccc1)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H21NO/c1-14(2)13-16-9-11-17(12-10-16)15(3)19-20-18-7-5-4-6-8-18/h4-12,14H,13H2,1-3H3/b19-15+
InChIKeyFGXGHHQNVCLRMG-XDJHFCHBSA-N
XLogP4.69
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.69
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-[4-(2-methylpropyl)phenyl]-N-phenoxyethanimine?
The IUPAC name of (E)-1-[4-(2-methylpropyl)phenyl]-N-phenoxyethanimine (CID 134846129) is (E)-1-[4-(2-methylpropyl)phenyl]-N-phenoxyethanimine.
What is the SMILES notation for (E)-1-[4-(2-methylpropyl)phenyl]-N-phenoxyethanimine?
The canonical SMILES for (E)-1-[4-(2-methylpropyl)phenyl]-N-phenoxyethanimine is C/C(=N\Oc1ccccc1)c1ccc(CC(C)C)cc1.
What is the InChIKey of (E)-1-[4-(2-methylpropyl)phenyl]-N-phenoxyethanimine?
The InChIKey is FGXGHHQNVCLRMG-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H21NO/c1-14(2)13-16-9-11-17(12-10-16)15(3)19-20-18-7-5-4-6-8-18/h4-12,14H,13H2,1-3H3/b19-15+.
What are the key properties of (E)-1-[4-(2-methylpropyl)phenyl]-N-phenoxyethanimine?
(E)-1-[4-(2-methylpropyl)phenyl]-N-phenoxyethanimine has a molecular weight of 267.37 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(2-methylpropyl)phenyl]-N-phenoxyethanimine is sourced from PubChem (CID 134846129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).