N-ethyl-1-(4-fluorophenyl)-2-propoxyprop-2-en-1-imine

C14H18FNO — CID 163597565

IUPACN-ethyl-1-(4-fluorophenyl)-2-propoxyprop-2-en-1-imine
SMILESC=C(OCCC)/C(=N\CC)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c1-4-10-17-11(3)14(16-5-2)12-6-8-13(15)9-7-12/h6-9H,3-5,10H2,1-2H3/b16-14+
InChIKeyGUUMEUYNAHQEGK-JQIJEIRASA-N
MW235.30 g/mol
LogP3.58
Rot. Bonds6

About N-ethyl-1-(4-fluorophenyl)-2-propoxyprop-2-en-1-imine

N-ethyl-1-(4-fluorophenyl)-2-propoxyprop-2-en-1-imine (PubChem CID 163597565) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-2-propoxyprop-2-en-1-imine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-2-propoxyprop-2-en-1-imine
PubChem CID163597565
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC NameN-ethyl-1-(4-fluorophenyl)-2-propoxyprop-2-en-1-imine
SMILESC=C(OCCC)/C(=N\CC)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c1-4-10-17-11(3)14(16-5-2)12-6-8-13(15)9-7-12/h6-9H,3-5,10H2,1-2H3/b16-14+
InChIKeyGUUMEUYNAHQEGK-JQIJEIRASA-N
XLogP3.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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2-[2-(2,5-Difluorophenyl)ethoxymethyl]-6-ethyl-3,4-dihydropyridine
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2-But-3-en-2-yloxy-1-(2-fluorophenyl)ethanimine
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CID 90253242
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CID 91003246

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-2-propoxyprop-2-en-1-imine?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-2-propoxyprop-2-en-1-imine (CID 163597565) is N-ethyl-1-(4-fluorophenyl)-2-propoxyprop-2-en-1-imine.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-2-propoxyprop-2-en-1-imine?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-2-propoxyprop-2-en-1-imine is C=C(OCCC)/C(=N\CC)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-2-propoxyprop-2-en-1-imine?
The InChIKey is GUUMEUYNAHQEGK-JQIJEIRASA-N. The full InChI is InChI=1S/C14H18FNO/c1-4-10-17-11(3)14(16-5-2)12-6-8-13(15)9-7-12/h6-9H,3-5,10H2,1-2H3/b16-14+.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-2-propoxyprop-2-en-1-imine?
N-ethyl-1-(4-fluorophenyl)-2-propoxyprop-2-en-1-imine has a molecular weight of 235.30 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-2-propoxyprop-2-en-1-imine is sourced from PubChem (CID 163597565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).