2-benzyl-4-bromo-1,3-dihydroisoindole

C15H14BrN — CID 52988158

IUPAC2-benzyl-4-bromo-1,3-dihydroisoindole
SMILESBrc1cccc2c1CN(Cc1ccccc1)C2
InChIInChI=1S/C15H14BrN/c16-15-8-4-7-13-10-17(11-14(13)15)9-12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyPXCBVDGJELFHKH-UHFFFAOYSA-N
MW288.19 g/mol
LogP3.96
Rot. Bonds2

About 2-benzyl-4-bromo-1,3-dihydroisoindole

2-benzyl-4-bromo-1,3-dihydroisoindole (PubChem CID 52988158) has the molecular formula C15H14BrN and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-benzyl-4-bromo-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-benzyl-4-bromo-1,3-dihydroisoindole
PubChem CID52988158
Molecular FormulaC15H14BrN
Molecular Weight288.19 g/mol
Exact Mass287.03
IUPAC Name2-benzyl-4-bromo-1,3-dihydroisoindole
SMILESBrc1cccc2c1CN(Cc1ccccc1)C2
InChIInChI=1S/C15H14BrN/c16-15-8-4-7-13-10-17(11-14(13)15)9-12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyPXCBVDGJELFHKH-UHFFFAOYSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-bromo-1,3-dihydroisoindole?
The IUPAC name of 2-benzyl-4-bromo-1,3-dihydroisoindole (CID 52988158) is 2-benzyl-4-bromo-1,3-dihydroisoindole.
What is the SMILES notation for 2-benzyl-4-bromo-1,3-dihydroisoindole?
The canonical SMILES for 2-benzyl-4-bromo-1,3-dihydroisoindole is Brc1cccc2c1CN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-4-bromo-1,3-dihydroisoindole?
The InChIKey is PXCBVDGJELFHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN/c16-15-8-4-7-13-10-17(11-14(13)15)9-12-5-2-1-3-6-12/h1-8H,9-11H2.
What are the key properties of 2-benzyl-4-bromo-1,3-dihydroisoindole?
2-benzyl-4-bromo-1,3-dihydroisoindole has a molecular weight of 288.19 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-bromo-1,3-dihydroisoindole is sourced from PubChem (CID 52988158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).