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

C9H13ClN2 — CID 12735617

IUPAC3,4-dihydro-1H-isoquinolin-2-amine;hydrochloride
SMILESCl.NN1CCc2ccccc2C1
InChIInChI=1S/C9H12N2.ClH/c10-11-6-5-8-3-1-2-4-9(8)7-11;/h1-4H,5-7,10H2;1H
InChIKeyLBNYYLITGNBPJT-UHFFFAOYSA-N
MW184.67 g/mol
LogP1.34
Rot. Bonds

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

3,4-dihydro-1H-isoquinolin-2-amine;hydrochloride (PubChem CID 12735617) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-amine;hydrochloride.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-amine;hydrochloride
PubChem CID12735617
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name3,4-dihydro-1H-isoquinolin-2-amine;hydrochloride
SMILESCl.NN1CCc2ccccc2C1
InChIInChI=1S/C9H12N2.ClH/c10-11-6-5-8-3-1-2-4-9(8)7-11;/h1-4H,5-7,10H2;1H
InChIKeyLBNYYLITGNBPJT-UHFFFAOYSA-N
XLogP1.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 51.34
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;hydrochloride?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-amine;hydrochloride (CID 12735617) is 3,4-dihydro-1H-isoquinolin-2-amine;hydrochloride.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-amine;hydrochloride?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-amine;hydrochloride is Cl.NN1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-amine;hydrochloride?
The InChIKey is LBNYYLITGNBPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.ClH/c10-11-6-5-8-3-1-2-4-9(8)7-11;/h1-4H,5-7,10H2;1H.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-amine;hydrochloride?
3,4-dihydro-1H-isoquinolin-2-amine;hydrochloride has a molecular weight of 184.67 g/mol, XLogP of 1.34, 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;hydrochloride is sourced from PubChem (CID 12735617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).