2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride

C22H22ClN — CID 45263090

IUPAC2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCl.c1ccc(CN2CCc3cccc(-c4ccccc4)c3C2)cc1
InChIInChI=1S/C22H21N.ClH/c1-3-8-18(9-4-1)16-23-15-14-20-12-7-13-21(22(20)17-23)19-10-5-2-6-11-19;/h1-13H,14-17H2;1H
InChIKeyPTQLFCVMYMCDGV-UHFFFAOYSA-N
MW335.88 g/mol
LogP5.33
Rot. Bonds3

About 2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride

2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 45263090) has the molecular formula C22H22ClN and a molecular weight of 335.88 g/mol. Its IUPAC name is 2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
PubChem CID45263090
Molecular FormulaC22H22ClN
Molecular Weight335.88 g/mol
Exact Mass335.14
IUPAC Name2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCl.c1ccc(CN2CCc3cccc(-c4ccccc4)c3C2)cc1
InChIInChI=1S/C22H21N.ClH/c1-3-8-18(9-4-1)16-23-15-14-20-12-7-13-21(22(20)17-23)19-10-5-2-6-11-19;/h1-13H,14-17H2;1H
InChIKeyPTQLFCVMYMCDGV-UHFFFAOYSA-N
XLogP5.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.88
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-8-(3-bromophenyl)-3,4-dihydro-1H-isoquinoline
CID 23344348
2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 142634815
2,7-dibenzyl-6,8-dihydro-5H-2,7-naphthyridin-1-one
CID 171552374
3-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide;hydrochloride
CID 67160044
2-benzyl-4-bromo-1,3-dihydroisoindole;hydrochloride
CID 57431190
ethyl 3-[2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-8-yl]benzoate
CID 67190183
2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 23298431
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
CID 15519082
3-benzyl-10-phenyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 22396727
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane
CID 145118805
2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3353508
CID 123628818
CID 123628818

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 45263090) is 2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride is Cl.c1ccc(CN2CCc3cccc(-c4ccccc4)c3C2)cc1.
What is the InChIKey of 2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is PTQLFCVMYMCDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N.ClH/c1-3-8-18(9-4-1)16-23-15-14-20-12-7-13-21(22(20)17-23)19-10-5-2-6-11-19;/h1-13H,14-17H2;1H.
What are the key properties of 2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 45263090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).