4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline

C22H22FNO2 — CID 126125748

IUPAC4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
SMILESCCOc1ccc(NCc2cccc(OCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C22H22FNO2/c1-2-25-21-12-10-20(11-13-21)24-15-18-4-3-5-22(14-18)26-16-17-6-8-19(23)9-7-17/h3-14,24H,2,15-16H2,1H3
InChIKeySLRGVFZJIRKSSA-UHFFFAOYSA-N
MW351.42 g/mol
LogP5.42
Rot. Bonds8

About 4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline

4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline (PubChem CID 126125748) has the molecular formula C22H22FNO2 and a molecular weight of 351.42 g/mol. Its IUPAC name is 4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline.

Molecular Properties

Compound Name4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
PubChem CID126125748
Molecular FormulaC22H22FNO2
Molecular Weight351.42 g/mol
Exact Mass351.16
IUPAC Name4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
SMILESCCOc1ccc(NCc2cccc(OCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C22H22FNO2/c1-2-25-21-12-10-20(11-13-21)24-15-18-4-3-5-22(14-18)26-16-17-6-8-19(23)9-7-17/h3-14,24H,2,15-16H2,1H3
InChIKeySLRGVFZJIRKSSA-UHFFFAOYSA-N
XLogP5.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.42
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128892
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
4-fluoro-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54796489
5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzimidazol-2-one
CID 73362937
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104
2-[4-[(3-ethoxyphenyl)methylamino]phenoxy]acetonitrile
CID 60871975
4-ethoxy-N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]methyl]aniline
CID 126128745
N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)acetamide
CID 53288657
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 23795626
4-fluoro-N-[[3-(3-methylbutoxy)phenyl]methyl]aniline
CID 54796497
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-ethoxyaniline
CID 126119393
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline?
The IUPAC name of 4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline (CID 126125748) is 4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline.
What is the SMILES notation for 4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline?
The canonical SMILES for 4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline is CCOc1ccc(NCc2cccc(OCc3ccc(F)cc3)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline?
The InChIKey is SLRGVFZJIRKSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO2/c1-2-25-21-12-10-20(11-13-21)24-15-18-4-3-5-22(14-18)26-16-17-6-8-19(23)9-7-17/h3-14,24H,2,15-16H2,1H3.
What are the key properties of 4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline?
4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline has a molecular weight of 351.42 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline is sourced from PubChem (CID 126125748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).