(E)-1-(4-fluorophenyl)-N-phenylmethoxypentan-1-imine

C18H20FNO — CID 18507931

IUPAC(E)-1-(4-fluorophenyl)-N-phenylmethoxypentan-1-imine
SMILESCCCC/C(=N\OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-2-3-9-18(16-10-12-17(19)13-11-16)20-21-14-15-7-5-4-6-8-15/h4-8,10-13H,2-3,9,14H2,1H3/b20-18+
InChIKeyHXMIHKLBYDRDBU-CZIZESTLSA-N
MW285.36 g/mol
LogP4.94
Rot. Bonds7

About (E)-1-(4-fluorophenyl)-N-phenylmethoxypentan-1-imine

(E)-1-(4-fluorophenyl)-N-phenylmethoxypentan-1-imine (PubChem CID 18507931) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)-N-phenylmethoxypentan-1-imine.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)-N-phenylmethoxypentan-1-imine
PubChem CID18507931
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name(E)-1-(4-fluorophenyl)-N-phenylmethoxypentan-1-imine
SMILESCCCC/C(=N\OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-2-3-9-18(16-10-12-17(19)13-11-16)20-21-14-15-7-5-4-6-8-15/h4-8,10-13H,2-3,9,14H2,1H3/b20-18+
InChIKeyHXMIHKLBYDRDBU-CZIZESTLSA-N
XLogP4.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.94
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-fluorophenyl)-N-phenylmethoxypentan-1-imine?
The IUPAC name of (E)-1-(4-fluorophenyl)-N-phenylmethoxypentan-1-imine (CID 18507931) is (E)-1-(4-fluorophenyl)-N-phenylmethoxypentan-1-imine.
What is the SMILES notation for (E)-1-(4-fluorophenyl)-N-phenylmethoxypentan-1-imine?
The canonical SMILES for (E)-1-(4-fluorophenyl)-N-phenylmethoxypentan-1-imine is CCCC/C(=N\OCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (E)-1-(4-fluorophenyl)-N-phenylmethoxypentan-1-imine?
The InChIKey is HXMIHKLBYDRDBU-CZIZESTLSA-N. The full InChI is InChI=1S/C18H20FNO/c1-2-3-9-18(16-10-12-17(19)13-11-16)20-21-14-15-7-5-4-6-8-15/h4-8,10-13H,2-3,9,14H2,1H3/b20-18+.
What are the key properties of (E)-1-(4-fluorophenyl)-N-phenylmethoxypentan-1-imine?
(E)-1-(4-fluorophenyl)-N-phenylmethoxypentan-1-imine has a molecular weight of 285.36 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluorophenyl)-N-phenylmethoxypentan-1-imine is sourced from PubChem (CID 18507931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).