2-benzyl-3H-isoindol-1-imine;hydrobromide

C15H15BrN2 — CID 20847968

IUPAC2-benzyl-3H-isoindol-1-imine;hydrobromide
SMILESBr.[H]/N=C1/c2ccccc2CN1Cc1ccccc1
InChIInChI=1S/C15H14N2.BrH/c16-15-14-9-5-4-8-13(14)11-17(15)10-12-6-2-1-3-7-12;/h1-9,16H,10-11H2;1H/b16-15-;
InChIKeyYPBGBOXSZOWEAH-YFKNTREVSA-N
MW303.20 g/mol
LogP3.61
Rot. Bonds2

About 2-benzyl-3H-isoindol-1-imine;hydrobromide

2-benzyl-3H-isoindol-1-imine;hydrobromide (PubChem CID 20847968) has the molecular formula C15H15BrN2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-benzyl-3H-isoindol-1-imine;hydrobromide.

Molecular Properties

Compound Name2-benzyl-3H-isoindol-1-imine;hydrobromide
PubChem CID20847968
Molecular FormulaC15H15BrN2
Molecular Weight303.20 g/mol
Exact Mass302.04
IUPAC Name2-benzyl-3H-isoindol-1-imine;hydrobromide
SMILESBr.[H]/N=C1/c2ccccc2CN1Cc1ccccc1
InChIInChI=1S/C15H14N2.BrH/c16-15-14-9-5-4-8-13(14)11-17(15)10-12-6-2-1-3-7-12;/h1-9,16H,10-11H2;1H/b16-15-;
InChIKeyYPBGBOXSZOWEAH-YFKNTREVSA-N
XLogP3.61
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.61
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-benzyl-3H-isoindol-1-imine;hydrobromide?
The IUPAC name of 2-benzyl-3H-isoindol-1-imine;hydrobromide (CID 20847968) is 2-benzyl-3H-isoindol-1-imine;hydrobromide.
What is the SMILES notation for 2-benzyl-3H-isoindol-1-imine;hydrobromide?
The canonical SMILES for 2-benzyl-3H-isoindol-1-imine;hydrobromide is Br.[H]/N=C1/c2ccccc2CN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3H-isoindol-1-imine;hydrobromide?
The InChIKey is YPBGBOXSZOWEAH-YFKNTREVSA-N. The full InChI is InChI=1S/C15H14N2.BrH/c16-15-14-9-5-4-8-13(14)11-17(15)10-12-6-2-1-3-7-12;/h1-9,16H,10-11H2;1H/b16-15-;.
What are the key properties of 2-benzyl-3H-isoindol-1-imine;hydrobromide?
2-benzyl-3H-isoindol-1-imine;hydrobromide has a molecular weight of 303.20 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3H-isoindol-1-imine;hydrobromide is sourced from PubChem (CID 20847968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).