8-bromo-5-methoxy-1,2,3,4-tetrahydroisoquinoline

C10H12BrNO — CID 63272496

IUPAC8-bromo-5-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(Br)c2c1CCNC2
InChIInChI=1S/C10H12BrNO/c1-13-10-3-2-9(11)8-6-12-5-4-7(8)10/h2-3,12H,4-6H2,1H3
InChIKeyCFTWXJRVIHYSMK-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.10
Rot. Bonds1

About 8-bromo-5-methoxy-1,2,3,4-tetrahydroisoquinoline

8-bromo-5-methoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 63272496) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 8-bromo-5-methoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-bromo-5-methoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID63272496
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name8-bromo-5-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(Br)c2c1CCNC2
InChIInChI=1S/C10H12BrNO/c1-13-10-3-2-9(11)8-6-12-5-4-7(8)10/h2-3,12H,4-6H2,1H3
InChIKeyCFTWXJRVIHYSMK-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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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-bromo-5-methoxy-1,2,3,4-tetrahydroisoquinoline (CID 63272496) is 8-bromo-5-methoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-bromo-5-methoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-bromo-5-methoxy-1,2,3,4-tetrahydroisoquinoline is COc1ccc(Br)c2c1CCNC2.
What is the InChIKey of 8-bromo-5-methoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is CFTWXJRVIHYSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-13-10-3-2-9(11)8-6-12-5-4-7(8)10/h2-3,12H,4-6H2,1H3.
What are the key properties of 8-bromo-5-methoxy-1,2,3,4-tetrahydroisoquinoline?
8-bromo-5-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 8-bromo-5-methoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 63272496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).