(1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol

C9H15NO2 — CID 130625362

IUPAC(1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol
SMILESCCc1ccc([C@@H](N)[C@H](C)O)o1
InChIInChI=1S/C9H15NO2/c1-3-7-4-5-8(12-7)9(10)6(2)11/h4-6,9,11H,3,10H2,1-2H3/t6-,9-/m0/s1
InChIKeyUDCQBDMTAHSGNY-RCOVLWMOSA-N
MW169.22 g/mol
LogP1.22
Rot. Bonds3

About (1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol

(1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol (PubChem CID 130625362) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol
PubChem CID130625362
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol
SMILESCCc1ccc([C@@H](N)[C@H](C)O)o1
InChIInChI=1S/C9H15NO2/c1-3-7-4-5-8(12-7)9(10)6(2)11/h4-6,9,11H,3,10H2,1-2H3/t6-,9-/m0/s1
InChIKeyUDCQBDMTAHSGNY-RCOVLWMOSA-N
XLogP1.22
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol
CID 130739101
1-(5-ethylfuran-2-yl)-2-methylbutan-1-amine
CID 62346381
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275
(1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol
CID 131206305
(1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride
CID 171213530
(3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide
CID 78989110
1-(5-ethylfuran-2-yl)pentan-1-ol
CID 65149618
1-(5-ethylfuran-2-yl)-2,2-dimethylbutan-1-amine
CID 62678424
(3R)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171250896
(3S)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171244164
methyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate
CID 171213571
(1S)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 94399040

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol?
The IUPAC name of (1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol (CID 130625362) is (1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol.
What is the SMILES notation for (1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol?
The canonical SMILES for (1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol is CCc1ccc([C@@H](N)[C@H](C)O)o1.
What is the InChIKey of (1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol?
The InChIKey is UDCQBDMTAHSGNY-RCOVLWMOSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-7-4-5-8(12-7)9(10)6(2)11/h4-6,9,11H,3,10H2,1-2H3/t6-,9-/m0/s1.
What are the key properties of (1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol?
(1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol has a molecular weight of 169.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol is sourced from PubChem (CID 130625362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).