[5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium

C19H19FNO+ — CID 8622181

IUPAC[5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium
SMILESFc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)o2)cc1
InChIInChI=1S/C19H18FNO/c20-17-8-6-16(7-9-17)19-11-10-18(22-19)14-21-13-12-15-4-2-1-3-5-15/h1-11,21H,12-14H2/p+1
InChIKeyKQUQLBCCZCZQAZ-UHFFFAOYSA-O
MW296.37 g/mol
LogP3.39
Rot. Bonds6

About [5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium

[5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium (PubChem CID 8622181) has the molecular formula C19H19FNO+ and a molecular weight of 296.37 g/mol. Its IUPAC name is [5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium.

Molecular Properties

Compound Name[5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium
PubChem CID8622181
Molecular FormulaC19H19FNO+
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name[5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium
SMILESFc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)o2)cc1
InChIInChI=1S/C19H18FNO/c20-17-8-6-16(7-9-17)19-11-10-18(22-19)14-21-13-12-15-4-2-1-3-5-15/h1-11,21H,12-14H2/p+1
InChIKeyKQUQLBCCZCZQAZ-UHFFFAOYSA-O
XLogP3.39
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
CID 8622208
benzyl-[[5-(4-bromophenyl)furan-2-yl]methyl]azanium
CID 8622876
2-(4-fluorophenyl)ethyl-[(4-fluorophenyl)methyl]azanium
CID 7320387
benzyl-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8622580
[5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8622226
[(2S)-butan-2-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
CID 8622197
[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium
CID 7425272
[5-(2,4-dichlorophenyl)furan-2-yl]methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8636811
[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-[(4-fluorophenyl)methyl]azanium
CID 8638734
2-fluoro-3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid
CID 81357652
2-(3,4-dimethoxyphenyl)ethyl-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium
CID 8617227
2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium
CID 7425291

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium?
The IUPAC name of [5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium (CID 8622181) is [5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium.
What is the SMILES notation for [5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium?
The canonical SMILES for [5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium is Fc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)o2)cc1.
What is the InChIKey of [5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium?
The InChIKey is KQUQLBCCZCZQAZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18FNO/c20-17-8-6-16(7-9-17)19-11-10-18(22-19)14-21-13-12-15-4-2-1-3-5-15/h1-11,21H,12-14H2/p+1.
What are the key properties of [5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium?
[5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium has a molecular weight of 296.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium is sourced from PubChem (CID 8622181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).