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

C15H19FNO+ — CID 8622197

IUPAC[(2S)-butan-2-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
SMILESCC[C@H](C)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H18FNO/c1-3-11(2)17-10-14-8-9-15(18-14)12-4-6-13(16)7-5-12/h4-9,11,17H,3,10H2,1-2H3/p+1/t11-/m0/s1
InChIKeyDIRYSVUCKWWNQP-NSHDSACASA-O
MW248.32 g/mol
LogP2.95
Rot. Bonds5

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

[(2S)-butan-2-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium (PubChem CID 8622197) has the molecular formula C15H19FNO+ and a molecular weight of 248.32 g/mol. Its IUPAC name is [(2S)-butan-2-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[(2S)-butan-2-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
PubChem CID8622197
Molecular FormulaC15H19FNO+
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name[(2S)-butan-2-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
SMILESCC[C@H](C)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H18FNO/c1-3-11(2)17-10-14-8-9-15(18-14)12-4-6-13(16)7-5-12/h4-9,11,17H,3,10H2,1-2H3/p+1/t11-/m0/s1
InChIKeyDIRYSVUCKWWNQP-NSHDSACASA-O
XLogP2.95
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R)-butan-2-yl]-[(5-phenylfuran-2-yl)methyl]azanium
CID 8621940
[5-(4-fluorophenyl)furan-2-yl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8622226
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-1-yn-3-amine
CID 106225214
2-(2-fluorophenyl)ethyl-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium
CID 8622208
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine
CID 43080703
(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol
CID 79253494
[5-(4-fluorophenyl)furan-2-yl]methyl-(2-phenylethyl)azanium
CID 8622181
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine
CID 106328262
[5-(4-bromophenyl)furan-2-yl]methyl-[(1R)-1-phenylethyl]azanium
CID 8622897
3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-2-methylpropanenitrile
CID 62648146
2-[[5-(4-fluorophenyl)furan-2-yl]methyl-methylamino]propanoic acid
CID 122036744
[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
CID 7425278

Frequently Asked Questions

What is the IUPAC name of [(2S)-butan-2-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium?
The IUPAC name of [(2S)-butan-2-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium (CID 8622197) is [(2S)-butan-2-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium.
What is the SMILES notation for [(2S)-butan-2-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium?
The canonical SMILES for [(2S)-butan-2-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium is CC[C@H](C)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of [(2S)-butan-2-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium?
The InChIKey is DIRYSVUCKWWNQP-NSHDSACASA-O. The full InChI is InChI=1S/C15H18FNO/c1-3-11(2)17-10-14-8-9-15(18-14)12-4-6-13(16)7-5-12/h4-9,11,17H,3,10H2,1-2H3/p+1/t11-/m0/s1.
What are the key properties of [(2S)-butan-2-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium?
[(2S)-butan-2-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium has a molecular weight of 248.32 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-butan-2-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]azanium is sourced from PubChem (CID 8622197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).