(1R)-1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C13H14ClNO — CID 168869361

IUPAC(1R)-1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.c1coc([C@@H]2NCCc3ccccc32)c1
InChIInChI=1S/C13H13NO.ClH/c1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12;/h1-6,9,13-14H,7-8H2;1H/t13-;/m1./s1
InChIKeyQDANGYXWSGOYAO-BTQNPOSSSA-N
MW235.71 g/mol
LogP2.94
Rot. Bonds1

About (1R)-1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride

(1R)-1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 168869361) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is (1R)-1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID168869361
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name(1R)-1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.c1coc([C@@H]2NCCc3ccccc32)c1
InChIInChI=1S/C13H13NO.ClH/c1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12;/h1-6,9,13-14H,7-8H2;1H/t13-;/m1./s1
InChIKeyQDANGYXWSGOYAO-BTQNPOSSSA-N
XLogP2.94
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of (1R)-1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 168869361) is (1R)-1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for (1R)-1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for (1R)-1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride is Cl.c1coc([C@@H]2NCCc3ccccc32)c1.
What is the InChIKey of (1R)-1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is QDANGYXWSGOYAO-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H13NO.ClH/c1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12;/h1-6,9,13-14H,7-8H2;1H/t13-;/m1./s1.
What are the key properties of (1R)-1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
(1R)-1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 168869361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).