1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluoroanilino]butan-1-ol

C19H24FNO3 — CID 141196334

IUPAC1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluoroanilino]butan-1-ol
SMILESCCCC(O)Nc1ccc(Oc2ccc(CC)cc2OC)c(F)c1
InChIInChI=1S/C19H24FNO3/c1-4-6-19(22)21-14-8-10-16(15(20)12-14)24-17-9-7-13(5-2)11-18(17)23-3/h7-12,19,21-22H,4-6H2,1-3H3
InChIKeyWQEQXTHBPPRIGR-UHFFFAOYSA-N
MW333.40 g/mol
LogP4.72
Rot. Bonds8

About 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluoroanilino]butan-1-ol

1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluoroanilino]butan-1-ol (PubChem CID 141196334) has the molecular formula C19H24FNO3 and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluoroanilino]butan-1-ol.

Molecular Properties

Compound Name1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluoroanilino]butan-1-ol
PubChem CID141196334
Molecular FormulaC19H24FNO3
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluoroanilino]butan-1-ol
SMILESCCCC(O)Nc1ccc(Oc2ccc(CC)cc2OC)c(F)c1
InChIInChI=1S/C19H24FNO3/c1-4-6-19(22)21-14-8-10-16(15(20)12-14)24-17-9-7-13(5-2)11-18(17)23-3/h7-12,19,21-22H,4-6H2,1-3H3
InChIKeyWQEQXTHBPPRIGR-UHFFFAOYSA-N
XLogP4.72
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethyl-2-methoxyphenoxy)-2-fluoro-4-methylbenzene
CID 143582804
N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]-4-hydroxybutanamide
CID 59191367
ethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate
CID 158233848
3-fluoro-4-methoxy-N-undecan-6-ylaniline
CID 43775903
1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]butan-2-imine
CID 174712514
4-(4-ethyl-2-methoxyphenoxy)-3-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 59191244
3-fluoro-N-heptan-3-yl-4-methoxyaniline
CID 63944319
2-(4-ethyl-2-methoxyphenoxy)-5-fluorobenzenecarbothioamide
CID 107664916
1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone
CID 107665218
3-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
CID 115917453
1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene
CID 107666254
3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline
CID 43775902

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluoroanilino]butan-1-ol?
The IUPAC name of 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluoroanilino]butan-1-ol (CID 141196334) is 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluoroanilino]butan-1-ol.
What is the SMILES notation for 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluoroanilino]butan-1-ol?
The canonical SMILES for 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluoroanilino]butan-1-ol is CCCC(O)Nc1ccc(Oc2ccc(CC)cc2OC)c(F)c1.
What is the InChIKey of 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluoroanilino]butan-1-ol?
The InChIKey is WQEQXTHBPPRIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO3/c1-4-6-19(22)21-14-8-10-16(15(20)12-14)24-17-9-7-13(5-2)11-18(17)23-3/h7-12,19,21-22H,4-6H2,1-3H3.
What are the key properties of 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluoroanilino]butan-1-ol?
1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluoroanilino]butan-1-ol has a molecular weight of 333.40 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluoroanilino]butan-1-ol is sourced from PubChem (CID 141196334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).