(E)-1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)butan-1-imine

C23H24FNO2 — CID 88527963

IUPAC(E)-1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)butan-1-imine
SMILESCO/N=C(\CC(C)OCCc1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C23H24FNO2/c1-17(15-23(25-26-2)20-9-11-22(24)12-10-20)27-14-13-18-7-8-19-5-3-4-6-21(19)16-18/h3-12,16-17H,13-15H2,1-2H3/b25-23+
InChIKeySPGBZPFXGRJLEB-WJTDDFOZSA-N
MW365.45 g/mol
LogP5.37
Rot. Bonds8

About (E)-1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)butan-1-imine

(E)-1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)butan-1-imine (PubChem CID 88527963) has the molecular formula C23H24FNO2 and a molecular weight of 365.45 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)butan-1-imine.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)butan-1-imine
PubChem CID88527963
Molecular FormulaC23H24FNO2
Molecular Weight365.45 g/mol
Exact Mass365.18
IUPAC Name(E)-1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)butan-1-imine
SMILESCO/N=C(\CC(C)OCCc1ccc2ccccc2c1)c1ccc(F)cc1
InChIInChI=1S/C23H24FNO2/c1-17(15-23(25-26-2)20-9-11-22(24)12-10-20)27-14-13-18-7-8-19-5-3-4-6-21(19)16-18/h3-12,16-17H,13-15H2,1-2H3/b25-23+
InChIKeySPGBZPFXGRJLEB-WJTDDFOZSA-N
XLogP5.37
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 55.37
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)butan-1-imine?
The IUPAC name of (E)-1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)butan-1-imine (CID 88527963) is (E)-1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)butan-1-imine.
What is the SMILES notation for (E)-1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)butan-1-imine?
The canonical SMILES for (E)-1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)butan-1-imine is CO/N=C(\CC(C)OCCc1ccc2ccccc2c1)c1ccc(F)cc1.
What is the InChIKey of (E)-1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)butan-1-imine?
The InChIKey is SPGBZPFXGRJLEB-WJTDDFOZSA-N. The full InChI is InChI=1S/C23H24FNO2/c1-17(15-23(25-26-2)20-9-11-22(24)12-10-20)27-14-13-18-7-8-19-5-3-4-6-21(19)16-18/h3-12,16-17H,13-15H2,1-2H3/b25-23+.
What are the key properties of (E)-1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)butan-1-imine?
(E)-1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)butan-1-imine has a molecular weight of 365.45 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)butan-1-imine is sourced from PubChem (CID 88527963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).