(E)-1-(3-methoxyphenyl)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]ethanimine

C18H20N2O2 — CID 5331696

IUPAC(E)-1-(3-methoxyphenyl)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]ethanimine
SMILESCOc1cccc(/C(C)=N/N=C(\C)c2cccc(OC)c2)c1
InChIInChI=1S/C18H20N2O2/c1-13(15-7-5-9-17(11-15)21-3)19-20-14(2)16-8-6-10-18(12-16)22-4/h5-12H,1-4H3/b19-13+,20-14+
InChIKeyLMCPRWZQDNXFNB-IWGRKNQJSA-N
MW296.37 g/mol
LogP3.94
Rot. Bonds5

About (E)-1-(3-methoxyphenyl)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]ethanimine

(E)-1-(3-methoxyphenyl)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]ethanimine (PubChem CID 5331696) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (E)-1-(3-methoxyphenyl)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]ethanimine.

Molecular Properties

Compound Name(E)-1-(3-methoxyphenyl)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]ethanimine
PubChem CID5331696
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(E)-1-(3-methoxyphenyl)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]ethanimine
SMILESCOc1cccc(/C(C)=N/N=C(\C)c2cccc(OC)c2)c1
InChIInChI=1S/C18H20N2O2/c1-13(15-7-5-9-17(11-15)21-3)19-20-14(2)16-8-6-10-18(12-16)22-4/h5-12H,1-4H3/b19-13+,20-14+
InChIKeyLMCPRWZQDNXFNB-IWGRKNQJSA-N
XLogP3.94
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-methoxyphenyl)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]ethanimine?
The IUPAC name of (E)-1-(3-methoxyphenyl)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]ethanimine (CID 5331696) is (E)-1-(3-methoxyphenyl)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]ethanimine.
What is the SMILES notation for (E)-1-(3-methoxyphenyl)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]ethanimine?
The canonical SMILES for (E)-1-(3-methoxyphenyl)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]ethanimine is COc1cccc(/C(C)=N/N=C(\C)c2cccc(OC)c2)c1.
What is the InChIKey of (E)-1-(3-methoxyphenyl)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]ethanimine?
The InChIKey is LMCPRWZQDNXFNB-IWGRKNQJSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13(15-7-5-9-17(11-15)21-3)19-20-14(2)16-8-6-10-18(12-16)22-4/h5-12H,1-4H3/b19-13+,20-14+.
What are the key properties of (E)-1-(3-methoxyphenyl)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]ethanimine?
(E)-1-(3-methoxyphenyl)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]ethanimine has a molecular weight of 296.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-methoxyphenyl)-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]ethanimine is sourced from PubChem (CID 5331696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).