7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline

C10H12BrNO — CID 82279765

IUPAC7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1Br)CNCC2
InChIInChI=1S/C10H12BrNO/c1-13-10-5-7-2-3-12-6-8(7)4-9(10)11/h4-5,12H,2-3,6H2,1H3
InChIKeyWHHDAOAVGDCKCV-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.10
Rot. Bonds1

About 7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline

7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 82279765) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID82279765
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1Br)CNCC2
InChIInChI=1S/C10H12BrNO/c1-13-10-5-7-2-3-12-6-8(7)4-9(10)11/h4-5,12H,2-3,6H2,1H3
InChIKeyWHHDAOAVGDCKCV-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methoxy-1,2,3,4-tetrahydroisoquinoline
CID 39356
7-Methoxy-1,2,3,4-Tetrahydroisoquinoline
CID 417288
1-(4-Bromophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 606093
8-Bromo-7-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 9881885
8-Bromo-1-ethyl-7-methoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 9994008
8-Bromo-7-isopropoxy-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 10017556
8-Bromo-1-isopropyl-7-methoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 10379910
8-Bromo-7-ethoxy-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 10401602
7-Bromo-8-methoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 22368315
(R)-8-Bromo-7-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 44389645
(S)-8-Bromo-7-methoxy-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 44389646
4-Bromo-13-methoxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 9818873

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline (CID 82279765) is 7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1Br)CNCC2.
What is the InChIKey of 7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is WHHDAOAVGDCKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-13-10-5-7-2-3-12-6-8(7)4-9(10)11/h4-5,12H,2-3,6H2,1H3.
What are the key properties of 7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 242.12 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 82279765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).