1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]butan-2-imine

C19H22FNO2 — CID 174712514

IUPAC1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]butan-2-imine
SMILES[H]/N=C(\CC)Cc1ccc(Oc2ccc(CC)cc2OC)c(F)c1
InChIInChI=1S/C19H22FNO2/c1-4-13-6-9-18(19(12-13)22-3)23-17-8-7-14(11-16(17)20)10-15(21)5-2/h6-9,11-12,21H,4-5,10H2,1-3H3/b21-15+
InChIKeyMATOEGAPNDDGBH-RCCKNPSSSA-N
MW315.39 g/mol
LogP5.16
Rot. Bonds7

About 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]butan-2-imine

1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]butan-2-imine (PubChem CID 174712514) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]butan-2-imine.

Molecular Properties

Compound Name1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]butan-2-imine
PubChem CID174712514
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]butan-2-imine
SMILES[H]/N=C(\CC)Cc1ccc(Oc2ccc(CC)cc2OC)c(F)c1
InChIInChI=1S/C19H22FNO2/c1-4-13-6-9-18(19(12-13)22-3)23-17-8-7-14(11-16(17)20)10-15(21)5-2/h6-9,11-12,21H,4-5,10H2,1-3H3/b21-15+
InChIKeyMATOEGAPNDDGBH-RCCKNPSSSA-N
XLogP5.16
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.39
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethyl-2-methoxyphenoxy)-2-fluoro-4-methylbenzene
CID 143582804
1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluoroanilino]butan-1-ol
CID 141196334
3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide
CID 107743283
5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene
CID 107666217
N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]-4-hydroxybutanamide
CID 59191367
1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone
CID 107665218
2-(4-ethyl-2-methoxyphenoxy)-5-fluorobenzenecarbothioamide
CID 107664916
N-[[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]methyl]ethanamine
CID 43282260
1-[4-(4-chlorophenyl)-3-methoxyphenyl]pentan-2-imine
CID 175270117
ethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate
CID 158233848
1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene
CID 107666254
2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine
CID 107668910

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]butan-2-imine?
The IUPAC name of 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]butan-2-imine (CID 174712514) is 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]butan-2-imine.
What is the SMILES notation for 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]butan-2-imine?
The canonical SMILES for 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]butan-2-imine is [H]/N=C(\CC)Cc1ccc(Oc2ccc(CC)cc2OC)c(F)c1.
What is the InChIKey of 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]butan-2-imine?
The InChIKey is MATOEGAPNDDGBH-RCCKNPSSSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-4-13-6-9-18(19(12-13)22-3)23-17-8-7-14(11-16(17)20)10-15(21)5-2/h6-9,11-12,21H,4-5,10H2,1-3H3/b21-15+.
What are the key properties of 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]butan-2-imine?
1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]butan-2-imine has a molecular weight of 315.39 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]butan-2-imine is sourced from PubChem (CID 174712514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).