(E)-1-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methoxy]ethanimine

C17H18FNO — CID 88566977

IUPAC(E)-1-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methoxy]ethanimine
SMILESC/C(=N\OCc1cccc(C)c1)c1ccc(C)c(F)c1
InChIInChI=1S/C17H18FNO/c1-12-5-4-6-15(9-12)11-20-19-14(3)16-8-7-13(2)17(18)10-16/h4-10H,11H2,1-3H3/b19-14+
InChIKeyNCKGZTPRXHLLNU-XMHGGMMESA-N
MW271.34 g/mol
LogP4.38
Rot. Bonds4

About (E)-1-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methoxy]ethanimine

(E)-1-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methoxy]ethanimine (PubChem CID 88566977) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is (E)-1-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methoxy]ethanimine
PubChem CID88566977
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name(E)-1-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methoxy]ethanimine
SMILESC/C(=N\OCc1cccc(C)c1)c1ccc(C)c(F)c1
InChIInChI=1S/C17H18FNO/c1-12-5-4-6-15(9-12)11-20-19-14(3)16-8-7-13(2)17(18)10-16/h4-10H,11H2,1-3H3/b19-14+
InChIKeyNCKGZTPRXHLLNU-XMHGGMMESA-N
XLogP4.38
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.38
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-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methoxy]ethanimine?
The IUPAC name of (E)-1-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methoxy]ethanimine (CID 88566977) is (E)-1-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methoxy]ethanimine.
What is the SMILES notation for (E)-1-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methoxy]ethanimine?
The canonical SMILES for (E)-1-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methoxy]ethanimine is C/C(=N\OCc1cccc(C)c1)c1ccc(C)c(F)c1.
What is the InChIKey of (E)-1-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methoxy]ethanimine?
The InChIKey is NCKGZTPRXHLLNU-XMHGGMMESA-N. The full InChI is InChI=1S/C17H18FNO/c1-12-5-4-6-15(9-12)11-20-19-14(3)16-8-7-13(2)17(18)10-16/h4-10H,11H2,1-3H3/b19-14+.
What are the key properties of (E)-1-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methoxy]ethanimine?
(E)-1-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methoxy]ethanimine has a molecular weight of 271.34 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methoxy]ethanimine is sourced from PubChem (CID 88566977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).