1,2,3,4-tetrahydrobenzo[h]isoquinolin-6-amine

C13H14N2 — CID 57349669

IUPAC1,2,3,4-tetrahydrobenzo[h]isoquinolin-6-amine
SMILESNc1cc2c(c3ccccc13)CNCC2
InChIInChI=1S/C13H14N2/c14-13-7-9-5-6-15-8-12(9)10-3-1-2-4-11(10)13/h1-4,7,15H,5-6,8,14H2
InChIKeyZYINBLHJLKGWKQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.07
Rot. Bonds

About 1,2,3,4-tetrahydrobenzo[h]isoquinolin-6-amine

1,2,3,4-tetrahydrobenzo[h]isoquinolin-6-amine (PubChem CID 57349669) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1,2,3,4-tetrahydrobenzo[h]isoquinolin-6-amine.

Molecular Properties

Compound Name1,2,3,4-tetrahydrobenzo[h]isoquinolin-6-amine
PubChem CID57349669
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name1,2,3,4-tetrahydrobenzo[h]isoquinolin-6-amine
SMILESNc1cc2c(c3ccccc13)CNCC2
InChIInChI=1S/C13H14N2/c14-13-7-9-5-6-15-8-12(9)10-3-1-2-4-11(10)13/h1-4,7,15H,5-6,8,14H2
InChIKeyZYINBLHJLKGWKQ-UHFFFAOYSA-N
XLogP2.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.07
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-tetrahydrobenzo[h]isoquinolin-6-amine?
The IUPAC name of 1,2,3,4-tetrahydrobenzo[h]isoquinolin-6-amine (CID 57349669) is 1,2,3,4-tetrahydrobenzo[h]isoquinolin-6-amine.
What is the SMILES notation for 1,2,3,4-tetrahydrobenzo[h]isoquinolin-6-amine?
The canonical SMILES for 1,2,3,4-tetrahydrobenzo[h]isoquinolin-6-amine is Nc1cc2c(c3ccccc13)CNCC2.
What is the InChIKey of 1,2,3,4-tetrahydrobenzo[h]isoquinolin-6-amine?
The InChIKey is ZYINBLHJLKGWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c14-13-7-9-5-6-15-8-12(9)10-3-1-2-4-11(10)13/h1-4,7,15H,5-6,8,14H2.
What are the key properties of 1,2,3,4-tetrahydrobenzo[h]isoquinolin-6-amine?
1,2,3,4-tetrahydrobenzo[h]isoquinolin-6-amine has a molecular weight of 198.27 g/mol, XLogP of 2.07, 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-tetrahydrobenzo[h]isoquinolin-6-amine is sourced from PubChem (CID 57349669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).