4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]phenol

C20H18FNO2 — CID 833976

IUPAC4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]phenol
SMILESOc1ccc(NCc2ccccc2OCc2ccccc2F)cc1
InChIInChI=1S/C20H18FNO2/c21-19-7-3-1-6-16(19)14-24-20-8-4-2-5-15(20)13-22-17-9-11-18(23)12-10-17/h1-12,22-23H,13-14H2
InChIKeyVFNQQDMMYMYSLD-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.72
Rot. Bonds6

About 4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]phenol

4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]phenol (PubChem CID 833976) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]phenol.

Molecular Properties

Compound Name4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]phenol
PubChem CID833976
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Name4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]phenol
SMILESOc1ccc(NCc2ccccc2OCc2ccccc2F)cc1
InChIInChI=1S/C20H18FNO2/c21-19-7-3-1-6-16(19)14-24-20-8-4-2-5-15(20)13-22-17-9-11-18(23)12-10-17/h1-12,22-23H,13-14H2
InChIKeyVFNQQDMMYMYSLD-UHFFFAOYSA-N
XLogP4.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-(4-Ethoxyanilino)-1-(4-fluorophenyl)-1-propanol
CID 3427706
4-(((2-(Benzyloxy)phenyl)methyl)amino)phenol
CID 833990
1-(2-((3-Fluorophenoxy)methyl)phenyl)piperazine
CID 45483467
2-(((4-Methoxyphenyl)amino)methyl)phenol
CID 269972
1-((4-Methoxyanilino)methyl)-2-naphthol
CID 240945
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-(2-hydroxy-1-methyl-2-phenyl-ethyl)-1-methyl-urea
CID 10949261
2-{[(2-Fluorophenyl)amino]methyl}-4-methoxyphenol
CID 4447506
N,N'-(1,4-Phenylenedimethylidyne)DI-P-anisidine
CID 4294941
4-[2-[2-[4-(4-Ethoxyanilino)phenyl]ethylamino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol
CID 10310047
1-(2-((2,3-Difluorophenoxy)methyl)phenyl)piperazine
CID 45483506
5-Ethyl-2-[2-fluoro-4-(propylamino)phenoxy]phenol
CID 59191320
5-Ethyl-2-[2-fluoro-4-(3-hydroxy-propylamino)-phenoxy]-phenol
CID 59191344

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]phenol?
The IUPAC name of 4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]phenol (CID 833976) is 4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]phenol.
What is the SMILES notation for 4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]phenol?
The canonical SMILES for 4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]phenol is Oc1ccc(NCc2ccccc2OCc2ccccc2F)cc1.
What is the InChIKey of 4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]phenol?
The InChIKey is VFNQQDMMYMYSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2/c21-19-7-3-1-6-16(19)14-24-20-8-4-2-5-15(20)13-22-17-9-11-18(23)12-10-17/h1-12,22-23H,13-14H2.
What are the key properties of 4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]phenol?
4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]phenol has a molecular weight of 323.37 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]phenol is sourced from PubChem (CID 833976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).