(2S)-2-amino-2-(furan-3-yl)ethanol;hydrochloride

C6H10ClNO2 — CID 171212353

IUPAC(2S)-2-amino-2-(furan-3-yl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1ccoc1
InChIInChI=1S/C6H9NO2.ClH/c7-6(3-8)5-1-2-9-4-5;/h1-2,4,6,8H,3,7H2;1H/t6-;/m1./s1
InChIKeyYUZCIQRJEORISF-FYZOBXCZSA-N
MW163.60 g/mol
LogP0.69
Rot. Bonds2

About (2S)-2-amino-2-(furan-3-yl)ethanol;hydrochloride

(2S)-2-amino-2-(furan-3-yl)ethanol;hydrochloride (PubChem CID 171212353) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is (2S)-2-amino-2-(furan-3-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(furan-3-yl)ethanol;hydrochloride
PubChem CID171212353
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name(2S)-2-amino-2-(furan-3-yl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1ccoc1
InChIInChI=1S/C6H9NO2.ClH/c7-6(3-8)5-1-2-9-4-5;/h1-2,4,6,8H,3,7H2;1H/t6-;/m1./s1
InChIKeyYUZCIQRJEORISF-FYZOBXCZSA-N
XLogP0.69
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(furan-3-yl)propane-1,3-diol
CID 66204732
(1R)-1-(furan-3-yl)butane-1,4-diamine;hydrochloride
CID 171212323
(1R)-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine;hydrochloride
CID 171212335
(1R)-1-(furan-3-yl)-4-methylpentan-1-amine;hydrochloride
CID 171212351
(1S)-1-(furan-3-yl)butan-1-amine
CID 78960978
(1R)-3-fluoro-1-(furan-3-yl)propan-1-amine
CID 171212338
(1S)-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine;hydrochloride
CID 171231940
furan-3-ylmethanediamine
CID 54545098
1-(furan-3-yl)-2-methoxyethanamine
CID 63948777
1-(furan-3-yl)-3-methylidenepentan-1-amine
CID 66039477
(1R)-2-cyclopropyl-1-(furan-3-yl)ethanamine
CID 55293675
1-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105146670

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(furan-3-yl)ethanol;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(furan-3-yl)ethanol;hydrochloride (CID 171212353) is (2S)-2-amino-2-(furan-3-yl)ethanol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(furan-3-yl)ethanol;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(furan-3-yl)ethanol;hydrochloride is Cl.N[C@H](CO)c1ccoc1.
What is the InChIKey of (2S)-2-amino-2-(furan-3-yl)ethanol;hydrochloride?
The InChIKey is YUZCIQRJEORISF-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H9NO2.ClH/c7-6(3-8)5-1-2-9-4-5;/h1-2,4,6,8H,3,7H2;1H/t6-;/m1./s1.
What are the key properties of (2S)-2-amino-2-(furan-3-yl)ethanol;hydrochloride?
(2S)-2-amino-2-(furan-3-yl)ethanol;hydrochloride has a molecular weight of 163.60 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(furan-3-yl)ethanol;hydrochloride is sourced from PubChem (CID 171212353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).