1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine;dihydrochloride

C10H16Cl2N2 — CID 2851643

IUPAC1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCC1NCCc2ccccc21
InChIInChI=1S/C10H14N2.2ClH/c11-7-10-9-4-2-1-3-8(9)5-6-12-10;;/h1-4,10,12H,5-7,11H2;2*1H
InChIKeyIYQJSFFKBVSPBX-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.68
Rot. Bonds1

About 1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine;dihydrochloride

1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine;dihydrochloride (PubChem CID 2851643) has the molecular formula C10H16Cl2N2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine;dihydrochloride
PubChem CID2851643
Molecular FormulaC10H16Cl2N2
Molecular Weight235.16 g/mol
Exact Mass234.07
IUPAC Name1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCC1NCCc2ccccc21
InChIInChI=1S/C10H14N2.2ClH/c11-7-10-9-4-2-1-3-8(9)5-6-12-10;;/h1-4,10,12H,5-7,11H2;2*1H
InChIKeyIYQJSFFKBVSPBX-UHFFFAOYSA-N
XLogP1.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine;dihydrochloride?
The IUPAC name of 1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine;dihydrochloride (CID 2851643) is 1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine;dihydrochloride.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine;dihydrochloride?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine;dihydrochloride is Cl.Cl.NCC1NCCc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine;dihydrochloride?
The InChIKey is IYQJSFFKBVSPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.2ClH/c11-7-10-9-4-2-1-3-8(9)5-6-12-10;;/h1-4,10,12H,5-7,11H2;2*1H.
What are the key properties of 1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine;dihydrochloride?
1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine;dihydrochloride has a molecular weight of 235.16 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroisoquinolin-1-ylmethanamine;dihydrochloride is sourced from PubChem (CID 2851643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).