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

C19H19FNO2+ — CID 8621142

IUPAC[3-[(4-fluorophenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium
SMILESFc1ccc(COc2cccc(C[NH2+]Cc3ccco3)c2)cc1
InChIInChI=1S/C19H18FNO2/c20-17-8-6-15(7-9-17)14-23-18-4-1-3-16(11-18)12-21-13-19-5-2-10-22-19/h1-11,21H,12-14H2/p+1
InChIKeyICHDYXMOGGHVEF-UHFFFAOYSA-O
MW312.36 g/mol
LogP3.26
Rot. Bonds7

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

[3-[(4-fluorophenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium (PubChem CID 8621142) has the molecular formula C19H19FNO2+ and a molecular weight of 312.36 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium
PubChem CID8621142
Molecular FormulaC19H19FNO2+
Molecular Weight312.36 g/mol
Exact Mass312.14
IUPAC Name[3-[(4-fluorophenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium
SMILESFc1ccc(COc2cccc(C[NH2+]Cc3ccco3)c2)cc1
InChIInChI=1S/C19H18FNO2/c20-17-8-6-15(7-9-17)14-23-18-4-1-3-16(11-18)12-21-13-19-5-2-10-22-19/h1-11,21H,12-14H2/p+1
InChIKeyICHDYXMOGGHVEF-UHFFFAOYSA-O
XLogP3.26
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium
CID 7458263
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
(4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium
CID 8635403
N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 2996544
N-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine
CID 17055149
2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile
CID 170886344
(3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium
CID 7458290
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86988466
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate
CID 30992535
trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide
CID 63678095
1-fluoro-4-(phenoxymethyl)benzene
CID 957495

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium?
The IUPAC name of [3-[(4-fluorophenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium (CID 8621142) is [3-[(4-fluorophenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium.
What is the SMILES notation for [3-[(4-fluorophenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium?
The canonical SMILES for [3-[(4-fluorophenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium is Fc1ccc(COc2cccc(C[NH2+]Cc3ccco3)c2)cc1.
What is the InChIKey of [3-[(4-fluorophenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium?
The InChIKey is ICHDYXMOGGHVEF-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18FNO2/c20-17-8-6-15(7-9-17)14-23-18-4-1-3-16(11-18)12-21-13-19-5-2-10-22-19/h1-11,21H,12-14H2/p+1.
What are the key properties of [3-[(4-fluorophenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium?
[3-[(4-fluorophenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium has a molecular weight of 312.36 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methoxy]phenyl]methyl-(furan-2-ylmethyl)azanium is sourced from PubChem (CID 8621142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).