(E)-N-ethoxy-3-[4-(3-methylphenoxy)phenoxy]propan-1-imine

C18H21NO3 — CID 14577797

IUPAC(E)-N-ethoxy-3-[4-(3-methylphenoxy)phenoxy]propan-1-imine
SMILESCCO/N=C/CCOc1ccc(Oc2cccc(C)c2)cc1
InChIInChI=1S/C18H21NO3/c1-3-21-19-12-5-13-20-16-8-10-17(11-9-16)22-18-7-4-6-15(2)14-18/h4,6-12,14H,3,5,13H2,1-2H3/b19-12+
InChIKeyVVNORTPFZQGSDM-XDHOZWIPSA-N
MW299.37 g/mol
LogP4.58
Rot. Bonds8

About (E)-N-ethoxy-3-[4-(3-methylphenoxy)phenoxy]propan-1-imine

(E)-N-ethoxy-3-[4-(3-methylphenoxy)phenoxy]propan-1-imine (PubChem CID 14577797) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (E)-N-ethoxy-3-[4-(3-methylphenoxy)phenoxy]propan-1-imine.

Molecular Properties

Compound Name(E)-N-ethoxy-3-[4-(3-methylphenoxy)phenoxy]propan-1-imine
PubChem CID14577797
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(E)-N-ethoxy-3-[4-(3-methylphenoxy)phenoxy]propan-1-imine
SMILESCCO/N=C/CCOc1ccc(Oc2cccc(C)c2)cc1
InChIInChI=1S/C18H21NO3/c1-3-21-19-12-5-13-20-16-8-10-17(11-9-16)22-18-7-4-6-15(2)14-18/h4,6-12,14H,3,5,13H2,1-2H3/b19-12+
InChIKeyVVNORTPFZQGSDM-XDHOZWIPSA-N
XLogP4.58
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-N-ethoxy-3-[4-(3-methylphenoxy)phenoxy]propan-1-imine?
The IUPAC name of (E)-N-ethoxy-3-[4-(3-methylphenoxy)phenoxy]propan-1-imine (CID 14577797) is (E)-N-ethoxy-3-[4-(3-methylphenoxy)phenoxy]propan-1-imine.
What is the SMILES notation for (E)-N-ethoxy-3-[4-(3-methylphenoxy)phenoxy]propan-1-imine?
The canonical SMILES for (E)-N-ethoxy-3-[4-(3-methylphenoxy)phenoxy]propan-1-imine is CCO/N=C/CCOc1ccc(Oc2cccc(C)c2)cc1.
What is the InChIKey of (E)-N-ethoxy-3-[4-(3-methylphenoxy)phenoxy]propan-1-imine?
The InChIKey is VVNORTPFZQGSDM-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-21-19-12-5-13-20-16-8-10-17(11-9-16)22-18-7-4-6-15(2)14-18/h4,6-12,14H,3,5,13H2,1-2H3/b19-12+.
What are the key properties of (E)-N-ethoxy-3-[4-(3-methylphenoxy)phenoxy]propan-1-imine?
(E)-N-ethoxy-3-[4-(3-methylphenoxy)phenoxy]propan-1-imine has a molecular weight of 299.37 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxy-3-[4-(3-methylphenoxy)phenoxy]propan-1-imine is sourced from PubChem (CID 14577797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).