[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium

C20H21FNO3+ — CID 7458263

IUPAC[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium
SMILESCOc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C20H20FNO3/c1-23-20-11-16(12-22-13-18-3-2-10-24-18)6-9-19(20)25-14-15-4-7-17(21)8-5-15/h2-11,22H,12-14H2,1H3/p+1
InChIKeyOQWLIPMVWJIXPM-UHFFFAOYSA-O
MW342.39 g/mol
LogP3.27
Rot. Bonds8

About [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium

[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium (PubChem CID 7458263) has the molecular formula C20H21FNO3+ and a molecular weight of 342.39 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium
PubChem CID7458263
Molecular FormulaC20H21FNO3+
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium
SMILESCOc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C20H20FNO3/c1-23-20-11-16(12-22-13-18-3-2-10-24-18)6-9-19(20)25-14-15-4-7-17(21)8-5-15/h2-11,22H,12-14H2,1H3/p+1
InChIKeyOQWLIPMVWJIXPM-UHFFFAOYSA-O
XLogP3.27
TPSA48.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-fluorophenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium
CID 8621142
(3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium
CID 7458290
1,3-benzodioxol-5-ylmethyl-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium
CID 7248527
[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium
CID 7425090
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
(3-ethoxy-4-prop-2-enoxyphenyl)methyl-(furan-2-ylmethyl)azanium
CID 7458277
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331634
furan-2-ylmethyl-[(2-methoxyphenyl)methyl]azanium
CID 4090515
2-[(3,4-dimethoxyphenyl)methyl]furan
CID 71735507
1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene
CID 130325597
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium
CID 7228193

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium?
The IUPAC name of [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium (CID 7458263) is [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium.
What is the SMILES notation for [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium?
The canonical SMILES for [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium is COc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccc(F)cc1.
What is the InChIKey of [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium?
The InChIKey is OQWLIPMVWJIXPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H20FNO3/c1-23-20-11-16(12-22-13-18-3-2-10-24-18)6-9-19(20)25-14-15-4-7-17(21)8-5-15/h2-11,22H,12-14H2,1H3/p+1.
What are the key properties of [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium?
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium has a molecular weight of 342.39 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium is sourced from PubChem (CID 7458263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).