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

C14H18BrN — CID 84738985

IUPAC4-bromo-2-cyclohexyl-1,3-dihydroisoindole
SMILESBrc1cccc2c1CN(C1CCCCC1)C2
InChIInChI=1S/C14H18BrN/c15-14-8-4-5-11-9-16(10-13(11)14)12-6-2-1-3-7-12/h4-5,8,12H,1-3,6-7,9-10H2
InChIKeyPHGLZNATJXDEHO-UHFFFAOYSA-N
MW280.21 g/mol
LogP4.10
Rot. Bonds1

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

4-bromo-2-cyclohexyl-1,3-dihydroisoindole (PubChem CID 84738985) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is 4-bromo-2-cyclohexyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name4-bromo-2-cyclohexyl-1,3-dihydroisoindole
PubChem CID84738985
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name4-bromo-2-cyclohexyl-1,3-dihydroisoindole
SMILESBrc1cccc2c1CN(C1CCCCC1)C2
InChIInChI=1S/C14H18BrN/c15-14-8-4-5-11-9-16(10-13(11)14)12-6-2-1-3-7-12/h4-5,8,12H,1-3,6-7,9-10H2
InChIKeyPHGLZNATJXDEHO-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-bromo-2-cyclohexyl-1,3-dihydroisoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyclohexyl-1,3-dihydroisoindole?
The IUPAC name of 4-bromo-2-cyclohexyl-1,3-dihydroisoindole (CID 84738985) is 4-bromo-2-cyclohexyl-1,3-dihydroisoindole.
What is the SMILES notation for 4-bromo-2-cyclohexyl-1,3-dihydroisoindole?
The canonical SMILES for 4-bromo-2-cyclohexyl-1,3-dihydroisoindole is Brc1cccc2c1CN(C1CCCCC1)C2.
What is the InChIKey of 4-bromo-2-cyclohexyl-1,3-dihydroisoindole?
The InChIKey is PHGLZNATJXDEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN/c15-14-8-4-5-11-9-16(10-13(11)14)12-6-2-1-3-7-12/h4-5,8,12H,1-3,6-7,9-10H2.
What are the key properties of 4-bromo-2-cyclohexyl-1,3-dihydroisoindole?
4-bromo-2-cyclohexyl-1,3-dihydroisoindole has a molecular weight of 280.21 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyclohexyl-1,3-dihydroisoindole is sourced from PubChem (CID 84738985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).