1-[(2-bromophenyl)methyl]-3,4-dihydroisoquinoline

C16H14BrN — CID 86025440

IUPAC1-[(2-bromophenyl)methyl]-3,4-dihydroisoquinoline
SMILESBrc1ccccc1CC1=NCCc2ccccc21
InChIInChI=1S/C16H14BrN/c17-15-8-4-2-6-13(15)11-16-14-7-3-1-5-12(14)9-10-18-16/h1-8H,9-11H2
InChIKeyLLJGSTSYLUGOSX-UHFFFAOYSA-N
MW300.20 g/mol
LogP4.04
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]-3,4-dihydroisoquinoline

1-[(2-bromophenyl)methyl]-3,4-dihydroisoquinoline (PubChem CID 86025440) has the molecular formula C16H14BrN and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3,4-dihydroisoquinoline
PubChem CID86025440
Molecular FormulaC16H14BrN
Molecular Weight300.20 g/mol
Exact Mass299.03
IUPAC Name1-[(2-bromophenyl)methyl]-3,4-dihydroisoquinoline
SMILESBrc1ccccc1CC1=NCCc2ccccc21
InChIInChI=1S/C16H14BrN/c17-15-8-4-2-6-13(15)11-16-14-7-3-1-5-12(14)9-10-18-16/h1-8H,9-11H2
InChIKeyLLJGSTSYLUGOSX-UHFFFAOYSA-N
XLogP4.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-Dihydro-1-(phenylmethyl)isoquinoline
CID 32719
1-Phenyl-3,4-dihydroisoquinoline
CID 609926
1-Benzyl-3,4-dihydroisoquinoline hydrochloride
CID 45048805
6-(3-Bromophenyl)-2,3,4,5-tetrahydropyridine
CID 127024854
3-Isoquinolineethanamine, 3,4-dihydro-1-(2-bromophenyl)-N,N-dimethyl-, dihydrochloride
CID 3068655
5-Bromo-3,4-dihydroisoquinoline
CID 97301466
3-Methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline
CID 619217
1-(2-Phenylethyl)-3,4-dihydroisoquinoline
CID 53832122
1-(2-bromophenyl)-N-cyclohexyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 135002725
4-bromo-7-phenyl-5H-benzo[d][2]benzazepine
CID 86185797
1-(3-Bromophenyl)-3,4-dihydroisoquinoline
CID 44248023
6-Bromo-1-methyl-3,4-dihydroisoquinoline
CID 58416380

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3,4-dihydroisoquinoline?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3,4-dihydroisoquinoline (CID 86025440) is 1-[(2-bromophenyl)methyl]-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3,4-dihydroisoquinoline?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3,4-dihydroisoquinoline is Brc1ccccc1CC1=NCCc2ccccc21.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3,4-dihydroisoquinoline?
The InChIKey is LLJGSTSYLUGOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN/c17-15-8-4-2-6-13(15)11-16-14-7-3-1-5-12(14)9-10-18-16/h1-8H,9-11H2.
What are the key properties of 1-[(2-bromophenyl)methyl]-3,4-dihydroisoquinoline?
1-[(2-bromophenyl)methyl]-3,4-dihydroisoquinoline has a molecular weight of 300.20 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3,4-dihydroisoquinoline is sourced from PubChem (CID 86025440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).