3,4-dihydro-1H-isoquinolin-2-amine

C9H12N2 — CID 20975

IUPAC3,4-dihydro-1H-isoquinolin-2-amine
SMILESNN1CCc2ccccc2C1
InChIInChI=1S/C9H12N2/c10-11-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7,10H2
InChIKeyIYANYSZUKHQLKL-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.92
Rot. Bonds

About 3,4-dihydro-1H-isoquinolin-2-amine

3,4-dihydro-1H-isoquinolin-2-amine (PubChem CID 20975) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-amine.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-amine
PubChem CID20975
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3,4-dihydro-1H-isoquinolin-2-amine
SMILESNN1CCc2ccccc2C1
InChIInChI=1S/C9H12N2/c10-11-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7,10H2
InChIKeyIYANYSZUKHQLKL-UHFFFAOYSA-N
XLogP0.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-amine?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-amine (CID 20975) is 3,4-dihydro-1H-isoquinolin-2-amine.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-amine?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-amine is NN1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-amine?
The InChIKey is IYANYSZUKHQLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c10-11-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7,10H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-amine?
3,4-dihydro-1H-isoquinolin-2-amine has a molecular weight of 148.21 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-amine is sourced from PubChem (CID 20975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).