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

C17H18FNO — CID 18507902

IUPAC(E)-1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine
SMILESCCC/C(=N\OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c1-2-6-17(15-9-11-16(18)12-10-15)19-20-13-14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3/b19-17+
InChIKeyMFKCRZCWDMFWLE-HTXNQAPBSA-N
MW271.34 g/mol
LogP4.55
Rot. Bonds6

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

(E)-1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine (PubChem CID 18507902) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine
PubChem CID18507902
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name(E)-1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine
SMILESCCC/C(=N\OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c1-2-6-17(15-9-11-16(18)12-10-15)19-20-13-14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3/b19-17+
InChIKeyMFKCRZCWDMFWLE-HTXNQAPBSA-N
XLogP4.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.55
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-phenylmethoxybutan-1-imine?
The IUPAC name of (E)-1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine (CID 18507902) is (E)-1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine.
What is the SMILES notation for (E)-1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine?
The canonical SMILES for (E)-1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine is CCC/C(=N\OCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (E)-1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine?
The InChIKey is MFKCRZCWDMFWLE-HTXNQAPBSA-N. The full InChI is InChI=1S/C17H18FNO/c1-2-6-17(15-9-11-16(18)12-10-15)19-20-13-14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3/b19-17+.
What are the key properties of (E)-1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine?
(E)-1-(4-fluorophenyl)-N-phenylmethoxybutan-1-imine has a molecular weight of 271.34 g/mol, XLogP of 4.55, 6 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-phenylmethoxybutan-1-imine is sourced from PubChem (CID 18507902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).