1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline

C15H14BrN — CID 146165240

IUPAC1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline
SMILESBrC1c2ccccc2CCN1c1ccccc1
InChIInChI=1S/C15H14BrN/c16-15-14-9-5-4-6-12(14)10-11-17(15)13-7-2-1-3-8-13/h1-9,15H,10-11H2
InChIKeyYPEJNCQDABKWQB-UHFFFAOYSA-N
MW288.19 g/mol
LogP4.14
Rot. Bonds1

About 1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline

1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 146165240) has the molecular formula C15H14BrN and a molecular weight of 288.19 g/mol. Its IUPAC name is 1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID146165240
Molecular FormulaC15H14BrN
Molecular Weight288.19 g/mol
Exact Mass287.03
IUPAC Name1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline
SMILESBrC1c2ccccc2CCN1c1ccccc1
InChIInChI=1S/C15H14BrN/c16-15-14-9-5-4-6-12(14)10-11-17(15)13-7-2-1-3-8-13/h1-9,15H,10-11H2
InChIKeyYPEJNCQDABKWQB-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(fluoromethyl)-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 156774963
1-butyl-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 132543559
6-[(1S)-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl]hexanenitrile
CID 134953498
1-(2-methylbutan-2-yl)-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 162415451
S-tert-butyl 2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanethioate
CID 135000085
1-(4-fluorophenyl)-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone
CID 132503091
dimethyl 2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)propanedioate
CID 11186826
1-[4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanone
CID 102390710
(1S)-1-hex-1-ynyl-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 154718084
2,2-difluoro-1-phenyl-2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanone
CID 101474371
2-(4-bromophenyl)-1-prop-2-enyl-3,4-dihydro-1H-isoquinoline
CID 164898422
3,3'-diphenyl-2,2'-spirobi[1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinoline]
CID 11834992

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline (CID 146165240) is 1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline is BrC1c2ccccc2CCN1c1ccccc1.
What is the InChIKey of 1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is YPEJNCQDABKWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN/c16-15-14-9-5-4-6-12(14)10-11-17(15)13-7-2-1-3-8-13/h1-9,15H,10-11H2.
What are the key properties of 1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline?
1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 288.19 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 146165240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).