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

C15H15BrClN — CID 57431190

IUPAC2-benzyl-4-bromo-1,3-dihydroisoindole;hydrochloride
SMILESBrc1cccc2c1CN(Cc1ccccc1)C2.Cl
InChIInChI=1S/C15H14BrN.ClH/c16-15-8-4-7-13-10-17(11-14(13)15)9-12-5-2-1-3-6-12;/h1-8H,9-11H2;1H
InChIKeyMCPPKORUMVJNJP-UHFFFAOYSA-N
MW324.65 g/mol
LogP4.39
Rot. Bonds2

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

2-benzyl-4-bromo-1,3-dihydroisoindole;hydrochloride (PubChem CID 57431190) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is 2-benzyl-4-bromo-1,3-dihydroisoindole;hydrochloride.

Molecular Properties

Compound Name2-benzyl-4-bromo-1,3-dihydroisoindole;hydrochloride
PubChem CID57431190
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC Name2-benzyl-4-bromo-1,3-dihydroisoindole;hydrochloride
SMILESBrc1cccc2c1CN(Cc1ccccc1)C2.Cl
InChIInChI=1S/C15H14BrN.ClH/c16-15-8-4-7-13-10-17(11-14(13)15)9-12-5-2-1-3-6-12;/h1-8H,9-11H2;1H
InChIKeyMCPPKORUMVJNJP-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.65
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-benzyl-4-bromo-1,3-dihydroisoindole;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

CID 123628818
CID 123628818
4-bromo-2-(cyclopropylmethyl)-1,3-dihydroisoindole
CID 84737773
2-(4-bromo-1,3-dihydroisoindol-2-yl)acetonitrile
CID 130627906
5-bromo-2-[(4-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 163363808
2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 45263090
2-benzyl-8-(3-bromophenyl)-3,4-dihydro-1H-isoquinoline
CID 23344348
2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 142634815
2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370224
2-[(4-tert-butylphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370254
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride
CID 162343848
2-[(3,5-difluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 105404497

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-bromo-1,3-dihydroisoindole;hydrochloride?
The IUPAC name of 2-benzyl-4-bromo-1,3-dihydroisoindole;hydrochloride (CID 57431190) is 2-benzyl-4-bromo-1,3-dihydroisoindole;hydrochloride.
What is the SMILES notation for 2-benzyl-4-bromo-1,3-dihydroisoindole;hydrochloride?
The canonical SMILES for 2-benzyl-4-bromo-1,3-dihydroisoindole;hydrochloride is Brc1cccc2c1CN(Cc1ccccc1)C2.Cl.
What is the InChIKey of 2-benzyl-4-bromo-1,3-dihydroisoindole;hydrochloride?
The InChIKey is MCPPKORUMVJNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN.ClH/c16-15-8-4-7-13-10-17(11-14(13)15)9-12-5-2-1-3-6-12;/h1-8H,9-11H2;1H.
What are the key properties of 2-benzyl-4-bromo-1,3-dihydroisoindole;hydrochloride?
2-benzyl-4-bromo-1,3-dihydroisoindole;hydrochloride has a molecular weight of 324.65 g/mol, XLogP of 4.39, 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;hydrochloride is sourced from PubChem (CID 57431190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).