(3S)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride

C11H20ClNO2 — CID 171244164

IUPAC(3S)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
SMILESCCc1ccc([C@@H](N)C(C)(C)CO)o1.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-4-8-5-6-9(14-8)10(12)11(2,3)7-13;/h5-6,10,13H,4,7,12H2,1-3H3;1H/t10-;/m1./s1
InChIKeyRPIPXRARFSMKBQ-HNCPQSOCSA-N
MW233.74 g/mol
LogP2.28
Rot. Bonds4

About (3S)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride

(3S)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride (PubChem CID 171244164) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is (3S)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
PubChem CID171244164
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name(3S)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
SMILESCCc1ccc([C@@H](N)C(C)(C)CO)o1.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-4-8-5-6-9(14-8)10(12)11(2,3)7-13;/h5-6,10,13H,4,7,12H2,1-3H3;1H/t10-;/m1./s1
InChIKeyRPIPXRARFSMKBQ-HNCPQSOCSA-N
XLogP2.28
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171250896
1-(5-ethylfuran-2-yl)-2,2-dimethylbutan-1-amine
CID 62678424
[5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride
CID 171250266
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275
(1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride
CID 171213530
(1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol
CID 130625362
(1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride
CID 171213556
(1R)-1-(5-ethylfuran-2-yl)pentan-1-amine;hydrochloride
CID 171213544
(3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide
CID 78989110
[5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol
CID 130913224
1-(5-ethylfuran-2-yl)-2-methylbutan-1-amine
CID 62346381
3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol
CID 130059387

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride (CID 171244164) is (3S)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride is CCc1ccc([C@@H](N)C(C)(C)CO)o1.Cl.
What is the InChIKey of (3S)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride?
The InChIKey is RPIPXRARFSMKBQ-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H19NO2.ClH/c1-4-8-5-6-9(14-8)10(12)11(2,3)7-13;/h5-6,10,13H,4,7,12H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of (3S)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride?
(3S)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride is sourced from PubChem (CID 171244164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).