tert-butyl-[(5-phenylfuran-2-yl)methyl]azanium

C15H20NO+ — CID 7425098

IUPACtert-butyl-[(5-phenylfuran-2-yl)methyl]azanium
SMILESCC(C)(C)[NH2+]Cc1ccc(-c2ccccc2)o1
InChIInChI=1S/C15H19NO/c1-15(2,3)16-11-13-9-10-14(17-13)12-7-5-4-6-8-12/h4-10,16H,11H2,1-3H3/p+1
InChIKeyDPLPMJOBKFRDAY-UHFFFAOYSA-O
MW230.33 g/mol
LogP2.81
Rot. Bonds3

About tert-butyl-[(5-phenylfuran-2-yl)methyl]azanium

tert-butyl-[(5-phenylfuran-2-yl)methyl]azanium (PubChem CID 7425098) has the molecular formula C15H20NO+ and a molecular weight of 230.33 g/mol. Its IUPAC name is tert-butyl-[(5-phenylfuran-2-yl)methyl]azanium.

Molecular Properties

Compound Nametert-butyl-[(5-phenylfuran-2-yl)methyl]azanium
PubChem CID7425098
Molecular FormulaC15H20NO+
Molecular Weight230.33 g/mol
Exact Mass230.15
IUPAC Nametert-butyl-[(5-phenylfuran-2-yl)methyl]azanium
SMILESCC(C)(C)[NH2+]Cc1ccc(-c2ccccc2)o1
InChIInChI=1S/C15H19NO/c1-15(2,3)16-11-13-9-10-14(17-13)12-7-5-4-6-8-12/h4-10,16H,11H2,1-3H3/p+1
InChIKeyDPLPMJOBKFRDAY-UHFFFAOYSA-O
XLogP2.81
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 tert-butyl-[(5-phenylfuran-2-yl)methyl]azanium?
The IUPAC name of tert-butyl-[(5-phenylfuran-2-yl)methyl]azanium (CID 7425098) is tert-butyl-[(5-phenylfuran-2-yl)methyl]azanium.
What is the SMILES notation for tert-butyl-[(5-phenylfuran-2-yl)methyl]azanium?
The canonical SMILES for tert-butyl-[(5-phenylfuran-2-yl)methyl]azanium is CC(C)(C)[NH2+]Cc1ccc(-c2ccccc2)o1.
What is the InChIKey of tert-butyl-[(5-phenylfuran-2-yl)methyl]azanium?
The InChIKey is DPLPMJOBKFRDAY-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H19NO/c1-15(2,3)16-11-13-9-10-14(17-13)12-7-5-4-6-8-12/h4-10,16H,11H2,1-3H3/p+1.
What are the key properties of tert-butyl-[(5-phenylfuran-2-yl)methyl]azanium?
tert-butyl-[(5-phenylfuran-2-yl)methyl]azanium has a molecular weight of 230.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5-phenylfuran-2-yl)methyl]azanium is sourced from PubChem (CID 7425098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).