(E)-1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybutan-1-imine

C19H22FNO2 — CID 18507820

IUPAC(E)-1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybutan-1-imine
SMILESCCC/C(=N\OCc1ccccc1)c1ccc(COC)c(F)c1
InChIInChI=1S/C19H22FNO2/c1-3-7-19(21-23-13-15-8-5-4-6-9-15)16-10-11-17(14-22-2)18(20)12-16/h4-6,8-12H,3,7,13-14H2,1-2H3/b21-19+
InChIKeySZWBZWDCIJIWOA-XUTLUUPISA-N
MW315.39 g/mol
LogP4.69
Rot. Bonds8

About (E)-1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybutan-1-imine

(E)-1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybutan-1-imine (PubChem CID 18507820) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is (E)-1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybutan-1-imine.

Molecular Properties

Compound Name(E)-1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybutan-1-imine
PubChem CID18507820
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name(E)-1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybutan-1-imine
SMILESCCC/C(=N\OCc1ccccc1)c1ccc(COC)c(F)c1
InChIInChI=1S/C19H22FNO2/c1-3-7-19(21-23-13-15-8-5-4-6-9-15)16-10-11-17(14-22-2)18(20)12-16/h4-6,8-12H,3,7,13-14H2,1-2H3/b21-19+
InChIKeySZWBZWDCIJIWOA-XUTLUUPISA-N
XLogP4.69
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.69
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-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybutan-1-imine?
The IUPAC name of (E)-1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybutan-1-imine (CID 18507820) is (E)-1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybutan-1-imine.
What is the SMILES notation for (E)-1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybutan-1-imine?
The canonical SMILES for (E)-1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybutan-1-imine is CCC/C(=N\OCc1ccccc1)c1ccc(COC)c(F)c1.
What is the InChIKey of (E)-1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybutan-1-imine?
The InChIKey is SZWBZWDCIJIWOA-XUTLUUPISA-N. The full InChI is InChI=1S/C19H22FNO2/c1-3-7-19(21-23-13-15-8-5-4-6-9-15)16-10-11-17(14-22-2)18(20)12-16/h4-6,8-12H,3,7,13-14H2,1-2H3/b21-19+.
What are the key properties of (E)-1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybutan-1-imine?
(E)-1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybutan-1-imine has a molecular weight of 315.39 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-fluoro-4-(methoxymethyl)phenyl]-N-phenylmethoxybutan-1-imine is sourced from PubChem (CID 18507820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).