1,2,3,4-tetrahydroisoquinolin-7-amine

C9H12N2 — CID 11586323

IUPAC1,2,3,4-tetrahydroisoquinolin-7-amine
SMILESNc1ccc2c(c1)CNCC2
InChIInChI=1S/C9H12N2/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6,10H2
InChIKeyVMEDBFRQSKKEEQ-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.91
Rot. Bonds

About 1,2,3,4-tetrahydroisoquinolin-7-amine

1,2,3,4-tetrahydroisoquinolin-7-amine (PubChem CID 11586323) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinolin-7-amine.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinolin-7-amine
PubChem CID11586323
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1,2,3,4-tetrahydroisoquinolin-7-amine
SMILESNc1ccc2c(c1)CNCC2
InChIInChI=1S/C9H12N2/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6,10H2
InChIKeyVMEDBFRQSKKEEQ-UHFFFAOYSA-N
XLogP0.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinolin-7-amine?
The IUPAC name of 1,2,3,4-tetrahydroisoquinolin-7-amine (CID 11586323) is 1,2,3,4-tetrahydroisoquinolin-7-amine.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinolin-7-amine?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinolin-7-amine is Nc1ccc2c(c1)CNCC2.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinolin-7-amine?
The InChIKey is VMEDBFRQSKKEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6,10H2.
What are the key properties of 1,2,3,4-tetrahydroisoquinolin-7-amine?
1,2,3,4-tetrahydroisoquinolin-7-amine has a molecular weight of 148.21 g/mol, XLogP of 0.91, 0 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-7-amine is sourced from PubChem (CID 11586323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).