(2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol

C8H13NO2 — CID 96734857

IUPAC(2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol
SMILESCc1cc([C@@H](N)CO)c(C)o1
InChIInChI=1S/C8H13NO2/c1-5-3-7(6(2)11-5)8(9)4-10/h3,8,10H,4,9H2,1-2H3/t8-/m0/s1
InChIKeyHLHBDUMRAADHKX-QMMMGPOBSA-N
MW155.20 g/mol
LogP0.89
Rot. Bonds2

About (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol

(2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol (PubChem CID 96734857) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol
PubChem CID96734857
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol
SMILESCc1cc([C@@H](N)CO)c(C)o1
InChIInChI=1S/C8H13NO2/c1-5-3-7(6(2)11-5)8(9)4-10/h3,8,10H,4,9H2,1-2H3/t8-/m0/s1
InChIKeyHLHBDUMRAADHKX-QMMMGPOBSA-N
XLogP0.89
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid
CID 55293673
(1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine
CID 130739107
1-(2,5-dimethylfuran-3-yl)pent-3-yn-1-amine
CID 115819722
1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine
CID 61078450
1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 54979824
2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol
CID 65312937
1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine
CID 115846874
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 115841648
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 106867653
3-(2,5-dimethylfuran-3-yl)-3-(methylamino)propan-1-ol
CID 64814919
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 104998793

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol?
The IUPAC name of (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol (CID 96734857) is (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol is Cc1cc([C@@H](N)CO)c(C)o1.
What is the InChIKey of (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol?
The InChIKey is HLHBDUMRAADHKX-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-3-7(6(2)11-5)8(9)4-10/h3,8,10H,4,9H2,1-2H3/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol?
(2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol has a molecular weight of 155.20 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol is sourced from PubChem (CID 96734857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).