(1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride

C8H14ClNO — CID 171213830

IUPAC(1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride
SMILESCc1cc([C@@H](C)N)oc1C.Cl
InChIInChI=1S/C8H13NO.ClH/c1-5-4-8(6(2)9)10-7(5)3;/h4,6H,9H2,1-3H3;1H/t6-;/m1./s1
InChIKeyZYNTVWMHKGNLDQ-FYZOBXCZSA-N
MW175.66 g/mol
LogP2.34
Rot. Bonds1

About (1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride

(1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride (PubChem CID 171213830) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is (1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride
PubChem CID171213830
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name(1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride
SMILESCc1cc([C@@H](C)N)oc1C.Cl
InChIInChI=1S/C8H13NO.ClH/c1-5-4-8(6(2)9)10-7(5)3;/h4,6H,9H2,1-3H3;1H/t6-;/m1./s1
InChIKeyZYNTVWMHKGNLDQ-FYZOBXCZSA-N
XLogP2.34
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride?
The IUPAC name of (1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride (CID 171213830) is (1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride is Cc1cc([C@@H](C)N)oc1C.Cl.
What is the InChIKey of (1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride?
The InChIKey is ZYNTVWMHKGNLDQ-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H13NO.ClH/c1-5-4-8(6(2)9)10-7(5)3;/h4,6H,9H2,1-3H3;1H/t6-;/m1./s1.
What are the key properties of (1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride?
(1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 171213830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).