[(2R)-butan-2-yl]-[(5-phenylfuran-2-yl)methyl]azanium

C15H20NO+ — CID 8621940

IUPAC[(2R)-butan-2-yl]-[(5-phenylfuran-2-yl)methyl]azanium
SMILESCC[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)o1
InChIInChI=1S/C15H19NO/c1-3-12(2)16-11-14-9-10-15(17-14)13-7-5-4-6-8-13/h4-10,12,16H,3,11H2,1-2H3/p+1/t12-/m1/s1
InChIKeyFKAFBRPECGWOHV-GFCCVEGCSA-O
MW230.33 g/mol
LogP2.81
Rot. Bonds5

About [(2R)-butan-2-yl]-[(5-phenylfuran-2-yl)methyl]azanium

[(2R)-butan-2-yl]-[(5-phenylfuran-2-yl)methyl]azanium (PubChem CID 8621940) has the molecular formula C15H20NO+ and a molecular weight of 230.33 g/mol. Its IUPAC name is [(2R)-butan-2-yl]-[(5-phenylfuran-2-yl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-butan-2-yl]-[(5-phenylfuran-2-yl)methyl]azanium
PubChem CID8621940
Molecular FormulaC15H20NO+
Molecular Weight230.33 g/mol
Exact Mass230.15
IUPAC Name[(2R)-butan-2-yl]-[(5-phenylfuran-2-yl)methyl]azanium
SMILESCC[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)o1
InChIInChI=1S/C15H19NO/c1-3-12(2)16-11-14-9-10-15(17-14)13-7-5-4-6-8-13/h4-10,12,16H,3,11H2,1-2H3/p+1/t12-/m1/s1
InChIKeyFKAFBRPECGWOHV-GFCCVEGCSA-O
XLogP2.81
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2R)-butan-2-yl]-[(5-phenylfuran-2-yl)methyl]azanium?
The IUPAC name of [(2R)-butan-2-yl]-[(5-phenylfuran-2-yl)methyl]azanium (CID 8621940) is [(2R)-butan-2-yl]-[(5-phenylfuran-2-yl)methyl]azanium.
What is the SMILES notation for [(2R)-butan-2-yl]-[(5-phenylfuran-2-yl)methyl]azanium?
The canonical SMILES for [(2R)-butan-2-yl]-[(5-phenylfuran-2-yl)methyl]azanium is CC[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)o1.
What is the InChIKey of [(2R)-butan-2-yl]-[(5-phenylfuran-2-yl)methyl]azanium?
The InChIKey is FKAFBRPECGWOHV-GFCCVEGCSA-O. The full InChI is InChI=1S/C15H19NO/c1-3-12(2)16-11-14-9-10-15(17-14)13-7-5-4-6-8-13/h4-10,12,16H,3,11H2,1-2H3/p+1/t12-/m1/s1.
What are the key properties of [(2R)-butan-2-yl]-[(5-phenylfuran-2-yl)methyl]azanium?
[(2R)-butan-2-yl]-[(5-phenylfuran-2-yl)methyl]azanium has a molecular weight of 230.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-butan-2-yl]-[(5-phenylfuran-2-yl)methyl]azanium is sourced from PubChem (CID 8621940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).