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

C10H14N2 — CID 11041026

IUPAC1,2,3,4-tetrahydroisoquinolin-3-ylmethanamine
SMILESNCC1Cc2ccccc2CN1
InChIInChI=1S/C10H14N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10,12H,5-7,11H2
InChIKeyQQDYNQIMTRERLH-UHFFFAOYSA-N
MW162.24 g/mol
LogP0.66
Rot. Bonds1

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

1,2,3,4-tetrahydroisoquinolin-3-ylmethanamine (PubChem CID 11041026) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinolin-3-ylmethanamine.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinolin-3-ylmethanamine
PubChem CID11041026
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1,2,3,4-tetrahydroisoquinolin-3-ylmethanamine
SMILESNCC1Cc2ccccc2CN1
InChIInChI=1S/C10H14N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10,12H,5-7,11H2
InChIKeyQQDYNQIMTRERLH-UHFFFAOYSA-N
XLogP0.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 50.66
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-3-ylmethanamine?
The IUPAC name of 1,2,3,4-tetrahydroisoquinolin-3-ylmethanamine (CID 11041026) is 1,2,3,4-tetrahydroisoquinolin-3-ylmethanamine.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinolin-3-ylmethanamine?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinolin-3-ylmethanamine is NCC1Cc2ccccc2CN1.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinolin-3-ylmethanamine?
The InChIKey is QQDYNQIMTRERLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10,12H,5-7,11H2.
What are the key properties of 1,2,3,4-tetrahydroisoquinolin-3-ylmethanamine?
1,2,3,4-tetrahydroisoquinolin-3-ylmethanamine has a molecular weight of 162.24 g/mol, XLogP of 0.66, 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-3-ylmethanamine is sourced from PubChem (CID 11041026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).