1-(6-bromo-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

C13H18BrNO2 — CID 166693261

IUPAC1-(6-bromo-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESCOc1cc(Br)cc2c1CN(CC(C)O)CC2
InChIInChI=1S/C13H18BrNO2/c1-9(16)7-15-4-3-10-5-11(14)6-13(17-2)12(10)8-15/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyFYBQMHOYKCZYJR-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.20
Rot. Bonds3

About 1-(6-bromo-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

1-(6-bromo-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (PubChem CID 166693261) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-(6-bromo-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(6-bromo-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
PubChem CID166693261
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name1-(6-bromo-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESCOc1cc(Br)cc2c1CN(CC(C)O)CC2
InChIInChI=1S/C13H18BrNO2/c1-9(16)7-15-4-3-10-5-11(14)6-13(17-2)12(10)8-15/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyFYBQMHOYKCZYJR-UHFFFAOYSA-N
XLogP2.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol
CID 60885340
2-(8-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279849
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutan-2-amine
CID 43199554
1-[8-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
CID 174187204
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144
1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone
CID 82379295
2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline
CID 110457114
[10-(hydroxymethyl)-6,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-7-yl]methanol
CID 58349663
(7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanol
CID 91457483
2-[2-[2-(6-bromo-8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethoxy]ethanol
CID 166304128
(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[2-[(2S)-2-hydroxypropyl]-8-methoxy-3,4-dihydro-1H-isoquinolin-6-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 166515925

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The IUPAC name of 1-(6-bromo-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (CID 166693261) is 1-(6-bromo-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(6-bromo-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The canonical SMILES for 1-(6-bromo-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is COc1cc(Br)cc2c1CN(CC(C)O)CC2.
What is the InChIKey of 1-(6-bromo-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The InChIKey is FYBQMHOYKCZYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-9(16)7-15-4-3-10-5-11(14)6-13(17-2)12(10)8-15/h5-6,9,16H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(6-bromo-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
1-(6-bromo-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol has a molecular weight of 300.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 166693261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).