(E)-N-phenylmethoxy-1-(4-pyrrolidin-1-ylphenyl)methanimine

C18H20N2O — CID 21233808

IUPAC(E)-N-phenylmethoxy-1-(4-pyrrolidin-1-ylphenyl)methanimine
SMILESC(=N/OCc1ccccc1)\c1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H20N2O/c1-2-6-17(7-3-1)15-21-19-14-16-8-10-18(11-9-16)20-12-4-5-13-20/h1-3,6-11,14H,4-5,12-13,15H2/b19-14+
InChIKeyUDFMBIRJNGCMTC-XMHGGMMESA-N
MW280.37 g/mol
LogP3.84
Rot. Bonds5

About (E)-N-phenylmethoxy-1-(4-pyrrolidin-1-ylphenyl)methanimine

(E)-N-phenylmethoxy-1-(4-pyrrolidin-1-ylphenyl)methanimine (PubChem CID 21233808) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-N-phenylmethoxy-1-(4-pyrrolidin-1-ylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-phenylmethoxy-1-(4-pyrrolidin-1-ylphenyl)methanimine
PubChem CID21233808
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(E)-N-phenylmethoxy-1-(4-pyrrolidin-1-ylphenyl)methanimine
SMILESC(=N/OCc1ccccc1)\c1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H20N2O/c1-2-6-17(7-3-1)15-21-19-14-16-8-10-18(11-9-16)20-12-4-5-13-20/h1-3,6-11,14H,4-5,12-13,15H2/b19-14+
InChIKeyUDFMBIRJNGCMTC-XMHGGMMESA-N
XLogP3.84
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-phenylmethoxy-1-(4-pyrrolidin-1-ylphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-phenylmethoxy-1-(4-pyrrolidin-1-ylphenyl)methanimine?
The IUPAC name of (E)-N-phenylmethoxy-1-(4-pyrrolidin-1-ylphenyl)methanimine (CID 21233808) is (E)-N-phenylmethoxy-1-(4-pyrrolidin-1-ylphenyl)methanimine.
What is the SMILES notation for (E)-N-phenylmethoxy-1-(4-pyrrolidin-1-ylphenyl)methanimine?
The canonical SMILES for (E)-N-phenylmethoxy-1-(4-pyrrolidin-1-ylphenyl)methanimine is C(=N/OCc1ccccc1)\c1ccc(N2CCCC2)cc1.
What is the InChIKey of (E)-N-phenylmethoxy-1-(4-pyrrolidin-1-ylphenyl)methanimine?
The InChIKey is UDFMBIRJNGCMTC-XMHGGMMESA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-6-17(7-3-1)15-21-19-14-16-8-10-18(11-9-16)20-12-4-5-13-20/h1-3,6-11,14H,4-5,12-13,15H2/b19-14+.
What are the key properties of (E)-N-phenylmethoxy-1-(4-pyrrolidin-1-ylphenyl)methanimine?
(E)-N-phenylmethoxy-1-(4-pyrrolidin-1-ylphenyl)methanimine has a molecular weight of 280.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-phenylmethoxy-1-(4-pyrrolidin-1-ylphenyl)methanimine is sourced from PubChem (CID 21233808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).