[2-hydroxy-2-(5-methylfuran-2-yl)propyl]azanium

C8H14NO2+ — CID 144971366

IUPAC[2-hydroxy-2-(5-methylfuran-2-yl)propyl]azanium
SMILESCc1ccc(C(C)(O)C[NH3+])o1
InChIInChI=1S/C8H13NO2/c1-6-3-4-7(11-6)8(2,10)5-9/h3-4,10H,5,9H2,1-2H3/p+1
InChIKeyKWVBLNLMSMEPMJ-UHFFFAOYSA-O
MW156.20 g/mol
LogP0.04
Rot. Bonds2

About [2-hydroxy-2-(5-methylfuran-2-yl)propyl]azanium

[2-hydroxy-2-(5-methylfuran-2-yl)propyl]azanium (PubChem CID 144971366) has the molecular formula C8H14NO2+ and a molecular weight of 156.20 g/mol. Its IUPAC name is [2-hydroxy-2-(5-methylfuran-2-yl)propyl]azanium.

Molecular Properties

Compound Name[2-hydroxy-2-(5-methylfuran-2-yl)propyl]azanium
PubChem CID144971366
Molecular FormulaC8H14NO2+
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name[2-hydroxy-2-(5-methylfuran-2-yl)propyl]azanium
SMILESCc1ccc(C(C)(O)C[NH3+])o1
InChIInChI=1S/C8H13NO2/c1-6-3-4-7(11-6)8(2,10)5-9/h3-4,10H,5,9H2,1-2H3/p+1
InChIKeyKWVBLNLMSMEPMJ-UHFFFAOYSA-O
XLogP0.04
TPSA61.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Furanmethanol, alpha-(aminomethyl)-
CID 2756441
3-(Aminomethyl)-5-tert-butylfuran-2-carboxylic acid
CID 976763
1-Amino-2-(furan-2-yl)propan-2-ol
CID 54595271
2-Amino-1-(5-methylfuran-2-yl)ethan-1-ol
CID 16768177
Rac-1-(2-furyl)-2-(methylamino)ethanol
CID 11320981
1-Amino-2-(5-methylfuran-2-yl)propan-2-ol
CID 54594975
[5-(2-Aminoethyl)furan-2-yl]methanol
CID 55254415
(R)-2-Amino-1-(furan-2-YL)-ethanol
CID 7016265
2-(5-Methylfuran-2-yl)propan-2-ol
CID 10964596
4-Amino-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol
CID 16227736
(2S)-1,1-difluoro-2-(5-methylfuran-2-yl)propan-2-ol
CID 71474933
(1S,2S)-2-amino-1-(furan-2-yl)-3-phenylpropan-1-ol
CID 16060309

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-(5-methylfuran-2-yl)propyl]azanium?
The IUPAC name of [2-hydroxy-2-(5-methylfuran-2-yl)propyl]azanium (CID 144971366) is [2-hydroxy-2-(5-methylfuran-2-yl)propyl]azanium.
What is the SMILES notation for [2-hydroxy-2-(5-methylfuran-2-yl)propyl]azanium?
The canonical SMILES for [2-hydroxy-2-(5-methylfuran-2-yl)propyl]azanium is Cc1ccc(C(C)(O)C[NH3+])o1.
What is the InChIKey of [2-hydroxy-2-(5-methylfuran-2-yl)propyl]azanium?
The InChIKey is KWVBLNLMSMEPMJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13NO2/c1-6-3-4-7(11-6)8(2,10)5-9/h3-4,10H,5,9H2,1-2H3/p+1.
What are the key properties of [2-hydroxy-2-(5-methylfuran-2-yl)propyl]azanium?
[2-hydroxy-2-(5-methylfuran-2-yl)propyl]azanium has a molecular weight of 156.20 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(5-methylfuran-2-yl)propyl]azanium is sourced from PubChem (CID 144971366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).