1,2,3,4-tetrahydroisoquinoline;hydrochloride

C9H12ClN — CID 2734717

IUPAC1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.c1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11N.ClH/c1-2-4-9-7-10-6-5-8(9)3-1;/h1-4,10H,5-7H2;1H
InChIKeyMGFREDWKELGWML-UHFFFAOYSA-N
MW169.66 g/mol
LogP1.75
Rot. Bonds

About 1,2,3,4-tetrahydroisoquinoline;hydrochloride

1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 2734717) has the molecular formula C9H12ClN and a molecular weight of 169.66 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID2734717
Molecular FormulaC9H12ClN
Molecular Weight169.66 g/mol
Exact Mass169.07
IUPAC Name1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.c1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11N.ClH/c1-2-4-9-7-10-6-5-8(9)3-1;/h1-4,10H,5-7H2;1H
InChIKeyMGFREDWKELGWML-UHFFFAOYSA-N
XLogP1.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.66
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 2734717) is 1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinoline;hydrochloride is Cl.c1ccc2c(c1)CCNC2.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is MGFREDWKELGWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.ClH/c1-2-4-9-7-10-6-5-8(9)3-1;/h1-4,10H,5-7H2;1H.
What are the key properties of 1,2,3,4-tetrahydroisoquinoline;hydrochloride?
1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 169.66 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 2734717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).