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

C11H20ClNO2 — CID 171250896

IUPAC(3R)-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-;/m0./s1
InChIKeyRPIPXRARFSMKBQ-PPHPATTJSA-N
MW233.74 g/mol
LogP2.28
Rot. Bonds4

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

(3R)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride (PubChem CID 171250896) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is (3R)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
PubChem CID171250896
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name(3R)-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-;/m0./s1
InChIKeyRPIPXRARFSMKBQ-PPHPATTJSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride (CID 171250896) is (3R)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride?
The canonical SMILES for (3R)-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 (3R)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride?
The InChIKey is RPIPXRARFSMKBQ-PPHPATTJSA-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-;/m0./s1.
What are the key properties of (3R)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride?
(3R)-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 (3R)-3-amino-3-(5-ethylfuran-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride is sourced from PubChem (CID 171250896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).