1,2,3,4-tetrahydroisoquinolin-6-amine;dihydrobromide

C9H14Br2N2 — CID 91982951

IUPAC1,2,3,4-tetrahydroisoquinolin-6-amine;dihydrobromide
SMILESBr.Br.Nc1ccc2c(c1)CCNC2
InChIInChI=1S/C9H12N2.2BrH/c10-9-2-1-8-6-11-4-3-7(8)5-9;;/h1-2,5,11H,3-4,6,10H2;2*1H
InChIKeyCXYNTJAQKCIKCN-UHFFFAOYSA-N
MW310.03 g/mol
LogP2.07
Rot. Bonds

About 1,2,3,4-tetrahydroisoquinolin-6-amine;dihydrobromide

1,2,3,4-tetrahydroisoquinolin-6-amine;dihydrobromide (PubChem CID 91982951) has the molecular formula C9H14Br2N2 and a molecular weight of 310.03 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinolin-6-amine;dihydrobromide.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinolin-6-amine;dihydrobromide
PubChem CID91982951
Molecular FormulaC9H14Br2N2
Molecular Weight310.03 g/mol
Exact Mass307.95
IUPAC Name1,2,3,4-tetrahydroisoquinolin-6-amine;dihydrobromide
SMILESBr.Br.Nc1ccc2c(c1)CCNC2
InChIInChI=1S/C9H12N2.2BrH/c10-9-2-1-8-6-11-4-3-7(8)5-9;;/h1-2,5,11H,3-4,6,10H2;2*1H
InChIKeyCXYNTJAQKCIKCN-UHFFFAOYSA-N
XLogP2.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.03
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-tetrahydroisoquinolin-6-amine;dihydrobromide?
The IUPAC name of 1,2,3,4-tetrahydroisoquinolin-6-amine;dihydrobromide (CID 91982951) is 1,2,3,4-tetrahydroisoquinolin-6-amine;dihydrobromide.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinolin-6-amine;dihydrobromide?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinolin-6-amine;dihydrobromide is Br.Br.Nc1ccc2c(c1)CCNC2.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinolin-6-amine;dihydrobromide?
The InChIKey is CXYNTJAQKCIKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.2BrH/c10-9-2-1-8-6-11-4-3-7(8)5-9;;/h1-2,5,11H,3-4,6,10H2;2*1H.
What are the key properties of 1,2,3,4-tetrahydroisoquinolin-6-amine;dihydrobromide?
1,2,3,4-tetrahydroisoquinolin-6-amine;dihydrobromide has a molecular weight of 310.03 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-tetrahydroisoquinolin-6-amine;dihydrobromide is sourced from PubChem (CID 91982951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).