4-(4-ethyl-2-methoxyphenoxy)-3-fluoro-N-(1H-imidazol-5-ylmethyl)aniline

C19H20FN3O2 — CID 59191244

IUPAC4-(4-ethyl-2-methoxyphenoxy)-3-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
SMILESCCc1ccc(Oc2ccc(NCc3cnc[nH]3)cc2F)c(OC)c1
InChIInChI=1S/C19H20FN3O2/c1-3-13-4-6-18(19(8-13)24-2)25-17-7-5-14(9-16(17)20)22-11-15-10-21-12-23-15/h4-10,12,22H,3,11H2,1-2H3,(H,21,23)
InChIKeyQFWSRGLYTLSWDF-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.52
Rot. Bonds7

About 4-(4-ethyl-2-methoxyphenoxy)-3-fluoro-N-(1H-imidazol-5-ylmethyl)aniline

4-(4-ethyl-2-methoxyphenoxy)-3-fluoro-N-(1H-imidazol-5-ylmethyl)aniline (PubChem CID 59191244) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-(4-ethyl-2-methoxyphenoxy)-3-fluoro-N-(1H-imidazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name4-(4-ethyl-2-methoxyphenoxy)-3-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
PubChem CID59191244
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name4-(4-ethyl-2-methoxyphenoxy)-3-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
SMILESCCc1ccc(Oc2ccc(NCc3cnc[nH]3)cc2F)c(OC)c1
InChIInChI=1S/C19H20FN3O2/c1-3-13-4-6-18(19(8-13)24-2)25-17-7-5-14(9-16(17)20)22-11-15-10-21-12-23-15/h4-10,12,22H,3,11H2,1-2H3,(H,21,23)
InChIKeyQFWSRGLYTLSWDF-UHFFFAOYSA-N
XLogP4.52
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline
CID 59728218
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-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 24945906
N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]-4-hydroxybutanamide
CID 59191367
3-fluoro-4-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 55114838
ethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate
CID 158233848
4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline
CID 21193542
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 28615179
5-(4-ethyl-2-methoxyphenoxy)-N-propylpyridin-3-amine
CID 107669663
[2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol
CID 62763564
2-chloro-N-(1H-imidazol-5-ylmethyl)-4,5-dimethoxyaniline
CID 62762289

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2-methoxyphenoxy)-3-fluoro-N-(1H-imidazol-5-ylmethyl)aniline?
The IUPAC name of 4-(4-ethyl-2-methoxyphenoxy)-3-fluoro-N-(1H-imidazol-5-ylmethyl)aniline (CID 59191244) is 4-(4-ethyl-2-methoxyphenoxy)-3-fluoro-N-(1H-imidazol-5-ylmethyl)aniline.
What is the SMILES notation for 4-(4-ethyl-2-methoxyphenoxy)-3-fluoro-N-(1H-imidazol-5-ylmethyl)aniline?
The canonical SMILES for 4-(4-ethyl-2-methoxyphenoxy)-3-fluoro-N-(1H-imidazol-5-ylmethyl)aniline is CCc1ccc(Oc2ccc(NCc3cnc[nH]3)cc2F)c(OC)c1.
What is the InChIKey of 4-(4-ethyl-2-methoxyphenoxy)-3-fluoro-N-(1H-imidazol-5-ylmethyl)aniline?
The InChIKey is QFWSRGLYTLSWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-3-13-4-6-18(19(8-13)24-2)25-17-7-5-14(9-16(17)20)22-11-15-10-21-12-23-15/h4-10,12,22H,3,11H2,1-2H3,(H,21,23).
What are the key properties of 4-(4-ethyl-2-methoxyphenoxy)-3-fluoro-N-(1H-imidazol-5-ylmethyl)aniline?
4-(4-ethyl-2-methoxyphenoxy)-3-fluoro-N-(1H-imidazol-5-ylmethyl)aniline has a molecular weight of 341.39 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2-methoxyphenoxy)-3-fluoro-N-(1H-imidazol-5-ylmethyl)aniline is sourced from PubChem (CID 59191244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).