2-benzyl-8-(3-bromophenyl)-3,4-dihydro-1H-isoquinoline

C22H20BrN — CID 23344348

IUPAC2-benzyl-8-(3-bromophenyl)-3,4-dihydro-1H-isoquinoline
SMILESBrc1cccc(-c2cccc3c2CN(Cc2ccccc2)CC3)c1
InChIInChI=1S/C22H20BrN/c23-20-10-4-9-19(14-20)21-11-5-8-18-12-13-24(16-22(18)21)15-17-6-2-1-3-7-17/h1-11,14H,12-13,15-16H2
InChIKeyYVHMXMUBAYNSKW-UHFFFAOYSA-N
MW378.31 g/mol
LogP5.67
Rot. Bonds3

About 2-benzyl-8-(3-bromophenyl)-3,4-dihydro-1H-isoquinoline

2-benzyl-8-(3-bromophenyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 23344348) has the molecular formula C22H20BrN and a molecular weight of 378.31 g/mol. Its IUPAC name is 2-benzyl-8-(3-bromophenyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-benzyl-8-(3-bromophenyl)-3,4-dihydro-1H-isoquinoline
PubChem CID23344348
Molecular FormulaC22H20BrN
Molecular Weight378.31 g/mol
Exact Mass377.08
IUPAC Name2-benzyl-8-(3-bromophenyl)-3,4-dihydro-1H-isoquinoline
SMILESBrc1cccc(-c2cccc3c2CN(Cc2ccccc2)CC3)c1
InChIInChI=1S/C22H20BrN/c23-20-10-4-9-19(14-20)21-11-5-8-18-12-13-24(16-22(18)21)15-17-6-2-1-3-7-17/h1-11,14H,12-13,15-16H2
InChIKeyYVHMXMUBAYNSKW-UHFFFAOYSA-N
XLogP5.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.31
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 45263090
8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 23344309
ethyl 3-[2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-8-yl]benzoate
CID 67190183
2-benzyl-4-bromo-1,3-dihydroisoindole;hydrochloride
CID 57431190
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
CID 15519082
2,7-dibenzyl-6,8-dihydro-5H-2,7-naphthyridin-1-one
CID 171552374
2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 142634815
2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine
CID 63457850
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane
CID 145118805
3-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide;hydrochloride
CID 67160044
2-[(3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522494
2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline
CID 90487760

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-(3-bromophenyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-benzyl-8-(3-bromophenyl)-3,4-dihydro-1H-isoquinoline (CID 23344348) is 2-benzyl-8-(3-bromophenyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-benzyl-8-(3-bromophenyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-benzyl-8-(3-bromophenyl)-3,4-dihydro-1H-isoquinoline is Brc1cccc(-c2cccc3c2CN(Cc2ccccc2)CC3)c1.
What is the InChIKey of 2-benzyl-8-(3-bromophenyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is YVHMXMUBAYNSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN/c23-20-10-4-9-19(14-20)21-11-5-8-18-12-13-24(16-22(18)21)15-17-6-2-1-3-7-17/h1-11,14H,12-13,15-16H2.
What are the key properties of 2-benzyl-8-(3-bromophenyl)-3,4-dihydro-1H-isoquinoline?
2-benzyl-8-(3-bromophenyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 378.31 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-(3-bromophenyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 23344348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).