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

C15H14BrN — CID 150584035

IUPAC7-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline
SMILESBrc1ccc2c(c1)CN(c1ccccc1)CC2
InChIInChI=1S/C15H14BrN/c16-14-7-6-12-8-9-17(11-13(12)10-14)15-4-2-1-3-5-15/h1-7,10H,8-9,11H2
InChIKeyIOLJJNUHBUZMCD-UHFFFAOYSA-N
MW288.19 g/mol
LogP4.01
Rot. Bonds1

About 7-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline

7-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 150584035) has the molecular formula C15H14BrN and a molecular weight of 288.19 g/mol. Its IUPAC name is 7-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID150584035
Molecular FormulaC15H14BrN
Molecular Weight288.19 g/mol
Exact Mass287.03
IUPAC Name7-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline
SMILESBrc1ccc2c(c1)CN(c1ccccc1)CC2
InChIInChI=1S/C15H14BrN/c16-14-7-6-12-8-9-17(11-13(12)10-14)15-4-2-1-3-5-15/h1-7,10H,8-9,11H2
InChIKeyIOLJJNUHBUZMCD-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-Bromo-5-ethyl-5,6,11,12-tetrahydro-dibenzo[b,f]azocine
CID 44409299
5-Bromo-2-(3-methylphenyl)isoindoline
CID 900123
1-(3-Bromobenzyl)-4-phenylpiperazine
CID 763885
1-(3-Bromobenzyl)-4-(4-fluorophenyl)piperazine
CID 764880
N-phenyltetrahydroisoquinoline
CID 11321753
2-(4-Fluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 57412705
1-((4-Bromophenyl)methyl)-4-phenylpiperazine
CID 764228
6-bromo-N,N-dimethylnaphthalen-2-amine
CID 15508907
1-[(3-Bromo-4-fluorophenyl)methyl]-4-phenylpiperazine
CID 765074
2-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline
CID 102223613
Cambridge id 5257349
CID 791198
2-(4-bromophenyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile
CID 44471374

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline (CID 150584035) is 7-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline is Brc1ccc2c(c1)CN(c1ccccc1)CC2.
What is the InChIKey of 7-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is IOLJJNUHBUZMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN/c16-14-7-6-12-8-9-17(11-13(12)10-14)15-4-2-1-3-5-15/h1-7,10H,8-9,11H2.
What are the key properties of 7-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline?
7-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 288.19 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 150584035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).