2-(4-bromophenyl)-1,4-dihydroisoquinolin-3-imine;hydrobromide

C15H14Br2N2 — CID 2841502

IUPAC2-(4-bromophenyl)-1,4-dihydroisoquinolin-3-imine;hydrobromide
SMILESBr.[H]/N=C1\Cc2ccccc2CN1c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2.BrH/c16-13-5-7-14(8-6-13)18-10-12-4-2-1-3-11(12)9-15(18)17;/h1-8,17H,9-10H2;1H/b17-15+;
InChIKeyFQDNXIIEIGKRBI-INTLEYBYSA-N
MW382.10 g/mol
LogP4.57
Rot. Bonds1

About 2-(4-bromophenyl)-1,4-dihydroisoquinolin-3-imine;hydrobromide

2-(4-bromophenyl)-1,4-dihydroisoquinolin-3-imine;hydrobromide (PubChem CID 2841502) has the molecular formula C15H14Br2N2 and a molecular weight of 382.10 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1,4-dihydroisoquinolin-3-imine;hydrobromide.

Molecular Properties

Compound Name2-(4-bromophenyl)-1,4-dihydroisoquinolin-3-imine;hydrobromide
PubChem CID2841502
Molecular FormulaC15H14Br2N2
Molecular Weight382.10 g/mol
Exact Mass379.95
IUPAC Name2-(4-bromophenyl)-1,4-dihydroisoquinolin-3-imine;hydrobromide
SMILESBr.[H]/N=C1\Cc2ccccc2CN1c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2.BrH/c16-13-5-7-14(8-6-13)18-10-12-4-2-1-3-11(12)9-15(18)17;/h1-8,17H,9-10H2;1H/b17-15+;
InChIKeyFQDNXIIEIGKRBI-INTLEYBYSA-N
XLogP4.57
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.10
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1,4-dihydroisoquinolin-3-imine;hydrobromide?
The IUPAC name of 2-(4-bromophenyl)-1,4-dihydroisoquinolin-3-imine;hydrobromide (CID 2841502) is 2-(4-bromophenyl)-1,4-dihydroisoquinolin-3-imine;hydrobromide.
What is the SMILES notation for 2-(4-bromophenyl)-1,4-dihydroisoquinolin-3-imine;hydrobromide?
The canonical SMILES for 2-(4-bromophenyl)-1,4-dihydroisoquinolin-3-imine;hydrobromide is Br.[H]/N=C1\Cc2ccccc2CN1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1,4-dihydroisoquinolin-3-imine;hydrobromide?
The InChIKey is FQDNXIIEIGKRBI-INTLEYBYSA-N. The full InChI is InChI=1S/C15H13BrN2.BrH/c16-13-5-7-14(8-6-13)18-10-12-4-2-1-3-11(12)9-15(18)17;/h1-8,17H,9-10H2;1H/b17-15+;.
What are the key properties of 2-(4-bromophenyl)-1,4-dihydroisoquinolin-3-imine;hydrobromide?
2-(4-bromophenyl)-1,4-dihydroisoquinolin-3-imine;hydrobromide has a molecular weight of 382.10 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1,4-dihydroisoquinolin-3-imine;hydrobromide is sourced from PubChem (CID 2841502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).