5-bromo-2-(3-methylphenyl)-1,3-dihydroisoindole

C15H14BrN — CID 900123

IUPAC5-bromo-2-(3-methylphenyl)-1,3-dihydroisoindole
SMILESCc1cccc(N2Cc3ccc(Br)cc3C2)c1
InChIInChI=1S/C15H14BrN/c1-11-3-2-4-15(7-11)17-9-12-5-6-14(16)8-13(12)10-17/h2-8H,9-10H2,1H3
InChIKeyFEAHHYHNCCCYBI-UHFFFAOYSA-N
MW288.19 g/mol
LogP4.28
Rot. Bonds1

About 5-bromo-2-(3-methylphenyl)-1,3-dihydroisoindole

5-bromo-2-(3-methylphenyl)-1,3-dihydroisoindole (PubChem CID 900123) has the molecular formula C15H14BrN and a molecular weight of 288.19 g/mol. Its IUPAC name is 5-bromo-2-(3-methylphenyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name5-bromo-2-(3-methylphenyl)-1,3-dihydroisoindole
PubChem CID900123
Molecular FormulaC15H14BrN
Molecular Weight288.19 g/mol
Exact Mass287.03
IUPAC Name5-bromo-2-(3-methylphenyl)-1,3-dihydroisoindole
SMILESCc1cccc(N2Cc3ccc(Br)cc3C2)c1
InChIInChI=1S/C15H14BrN/c1-11-3-2-4-15(7-11)17-9-12-5-6-14(16)8-13(12)10-17/h2-8H,9-10H2,1H3
InChIKeyFEAHHYHNCCCYBI-UHFFFAOYSA-N
XLogP4.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methylphenyl)-1,3-dihydroisoindole?
The IUPAC name of 5-bromo-2-(3-methylphenyl)-1,3-dihydroisoindole (CID 900123) is 5-bromo-2-(3-methylphenyl)-1,3-dihydroisoindole.
What is the SMILES notation for 5-bromo-2-(3-methylphenyl)-1,3-dihydroisoindole?
The canonical SMILES for 5-bromo-2-(3-methylphenyl)-1,3-dihydroisoindole is Cc1cccc(N2Cc3ccc(Br)cc3C2)c1.
What is the InChIKey of 5-bromo-2-(3-methylphenyl)-1,3-dihydroisoindole?
The InChIKey is FEAHHYHNCCCYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN/c1-11-3-2-4-15(7-11)17-9-12-5-6-14(16)8-13(12)10-17/h2-8H,9-10H2,1H3.
What are the key properties of 5-bromo-2-(3-methylphenyl)-1,3-dihydroisoindole?
5-bromo-2-(3-methylphenyl)-1,3-dihydroisoindole has a molecular weight of 288.19 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-methylphenyl)-1,3-dihydroisoindole is sourced from PubChem (CID 900123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).