[5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium

C20H21FNO2+ — CID 8622226

IUPAC[5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
SMILESC[C@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)[C@H](O)c1ccccc1
InChIInChI=1S/C20H20FNO2/c1-14(20(23)16-5-3-2-4-6-16)22-13-18-11-12-19(24-18)15-7-9-17(21)10-8-15/h2-12,14,20,22-23H,13H2,1H3/p+1/t14-,20-/m0/s1
InChIKeyRRGVCYTYQVAYDT-XOBRGWDASA-O
MW326.39 g/mol
LogP3.27
Rot. Bonds6

About [5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium

[5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium (PubChem CID 8622226) has the molecular formula C20H21FNO2+ and a molecular weight of 326.39 g/mol. Its IUPAC name is [5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium.

Molecular Properties

Compound Name[5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
PubChem CID8622226
Molecular FormulaC20H21FNO2+
Molecular Weight326.39 g/mol
Exact Mass326.16
IUPAC Name[5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
SMILESC[C@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)[C@H](O)c1ccccc1
InChIInChI=1S/C20H20FNO2/c1-14(20(23)16-5-3-2-4-6-16)22-13-18-11-12-19(24-18)15-7-9-17(21)10-8-15/h2-12,14,20,22-23H,13H2,1H3/p+1/t14-,20-/m0/s1
InChIKeyRRGVCYTYQVAYDT-XOBRGWDASA-O
XLogP3.27
TPSA49.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium with MolForge

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Related Compounds

[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8639360
[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium
CID 8636896
[(2S)-butan-2-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
CID 8622197
[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8636961
[5-(4-bromophenyl)furan-2-yl]methyl-[(1R)-1-phenylethyl]azanium
CID 8622897
[(2R)-butan-2-yl]-[(5-phenylfuran-2-yl)methyl]azanium
CID 8621940
(1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol
CID 8621990
[5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium
CID 8622181
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 17332091
(1R,2S)-2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8639340
(2-chlorophenyl)methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 7311574
2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
CID 8622208

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium?
The IUPAC name of [5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium (CID 8622226) is [5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium.
What is the SMILES notation for [5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium?
The canonical SMILES for [5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium is C[C@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)[C@H](O)c1ccccc1.
What is the InChIKey of [5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium?
The InChIKey is RRGVCYTYQVAYDT-XOBRGWDASA-O. The full InChI is InChI=1S/C20H20FNO2/c1-14(20(23)16-5-3-2-4-6-16)22-13-18-11-12-19(24-18)15-7-9-17(21)10-8-15/h2-12,14,20,22-23H,13H2,1H3/p+1/t14-,20-/m0/s1.
What are the key properties of [5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium?
[5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium has a molecular weight of 326.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium is sourced from PubChem (CID 8622226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).