bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide

C18H24Br2N2 — CID 173168768

IUPACbis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide
SMILESBr.Br.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCNC2
InChIInChI=1S/2C9H11N.2BrH/c2*1-2-4-9-7-10-6-5-8(9)3-1;;/h2*1-4,10H,5-7H2;2*1H
InChIKeyTZFPQMPMECRLBF-UHFFFAOYSA-N
MW428.21 g/mol
LogP3.82
Rot. Bonds

About bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide

bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide (PubChem CID 173168768) has the molecular formula C18H24Br2N2 and a molecular weight of 428.21 g/mol. Its IUPAC name is bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide.

Molecular Properties

Compound Namebis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide
PubChem CID173168768
Molecular FormulaC18H24Br2N2
Molecular Weight428.21 g/mol
Exact Mass426.03
IUPAC Namebis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide
SMILESBr.Br.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCNC2
InChIInChI=1S/2C9H11N.2BrH/c2*1-2-4-9-7-10-6-5-8(9)3-1;;/h2*1-4,10H,5-7H2;2*1H
InChIKeyTZFPQMPMECRLBF-UHFFFAOYSA-N
XLogP3.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.21
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide?
The IUPAC name of bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide (CID 173168768) is bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide.
What is the SMILES notation for bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide?
The canonical SMILES for bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide is Br.Br.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCNC2.
What is the InChIKey of bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide?
The InChIKey is TZFPQMPMECRLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11N.2BrH/c2*1-2-4-9-7-10-6-5-8(9)3-1;;/h2*1-4,10H,5-7H2;2*1H.
What are the key properties of bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide?
bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide has a molecular weight of 428.21 g/mol, XLogP of 3.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide is sourced from PubChem (CID 173168768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).