(1-hydroxy-2-methylpropan-2-yl)-[(5-phenylfuran-2-yl)methyl]azanium

C15H20NO2+ — CID 6955837

IUPAC(1-hydroxy-2-methylpropan-2-yl)-[(5-phenylfuran-2-yl)methyl]azanium
SMILESCC(C)(CO)[NH2+]Cc1ccc(-c2ccccc2)o1
InChIInChI=1S/C15H19NO2/c1-15(2,11-17)16-10-13-8-9-14(18-13)12-6-4-3-5-7-12/h3-9,16-17H,10-11H2,1-2H3/p+1
InChIKeyVUDRWJRQUNEPDX-UHFFFAOYSA-O
MW246.33 g/mol
LogP1.78
Rot. Bonds5

About (1-hydroxy-2-methylpropan-2-yl)-[(5-phenylfuran-2-yl)methyl]azanium

(1-hydroxy-2-methylpropan-2-yl)-[(5-phenylfuran-2-yl)methyl]azanium (PubChem CID 6955837) has the molecular formula C15H20NO2+ and a molecular weight of 246.33 g/mol. Its IUPAC name is (1-hydroxy-2-methylpropan-2-yl)-[(5-phenylfuran-2-yl)methyl]azanium.

Molecular Properties

Compound Name(1-hydroxy-2-methylpropan-2-yl)-[(5-phenylfuran-2-yl)methyl]azanium
PubChem CID6955837
Molecular FormulaC15H20NO2+
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name(1-hydroxy-2-methylpropan-2-yl)-[(5-phenylfuran-2-yl)methyl]azanium
SMILESCC(C)(CO)[NH2+]Cc1ccc(-c2ccccc2)o1
InChIInChI=1S/C15H19NO2/c1-15(2,11-17)16-10-13-8-9-14(18-13)12-6-4-3-5-7-12/h3-9,16-17H,10-11H2,1-2H3/p+1
InChIKeyVUDRWJRQUNEPDX-UHFFFAOYSA-O
XLogP1.78
TPSA49.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-methylpropan-2-yl)-[(5-phenylfuran-2-yl)methyl]azanium?
The IUPAC name of (1-hydroxy-2-methylpropan-2-yl)-[(5-phenylfuran-2-yl)methyl]azanium (CID 6955837) is (1-hydroxy-2-methylpropan-2-yl)-[(5-phenylfuran-2-yl)methyl]azanium.
What is the SMILES notation for (1-hydroxy-2-methylpropan-2-yl)-[(5-phenylfuran-2-yl)methyl]azanium?
The canonical SMILES for (1-hydroxy-2-methylpropan-2-yl)-[(5-phenylfuran-2-yl)methyl]azanium is CC(C)(CO)[NH2+]Cc1ccc(-c2ccccc2)o1.
What is the InChIKey of (1-hydroxy-2-methylpropan-2-yl)-[(5-phenylfuran-2-yl)methyl]azanium?
The InChIKey is VUDRWJRQUNEPDX-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H19NO2/c1-15(2,11-17)16-10-13-8-9-14(18-13)12-6-4-3-5-7-12/h3-9,16-17H,10-11H2,1-2H3/p+1.
What are the key properties of (1-hydroxy-2-methylpropan-2-yl)-[(5-phenylfuran-2-yl)methyl]azanium?
(1-hydroxy-2-methylpropan-2-yl)-[(5-phenylfuran-2-yl)methyl]azanium has a molecular weight of 246.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-methylpropan-2-yl)-[(5-phenylfuran-2-yl)methyl]azanium is sourced from PubChem (CID 6955837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).