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

C11H14BrNO — CID 170736167

IUPAC7-bromo-6-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1Br)CNC(C)C2
InChIInChI=1S/C11H14BrNO/c1-7-3-8-5-11(14-2)10(12)4-9(8)6-13-7/h4-5,7,13H,3,6H2,1-2H3
InChIKeySSEPCSGHGNNXIW-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.49
Rot. Bonds1

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

7-bromo-6-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 170736167) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 7-bromo-6-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-bromo-6-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID170736167
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name7-bromo-6-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1Br)CNC(C)C2
InChIInChI=1S/C11H14BrNO/c1-7-3-8-5-11(14-2)10(12)4-9(8)6-13-7/h4-5,7,13H,3,6H2,1-2H3
InChIKeySSEPCSGHGNNXIW-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-bromo-6-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline (CID 170736167) is 7-bromo-6-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-bromo-6-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-bromo-6-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1Br)CNC(C)C2.
What is the InChIKey of 7-bromo-6-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is SSEPCSGHGNNXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-7-3-8-5-11(14-2)10(12)4-9(8)6-13-7/h4-5,7,13H,3,6H2,1-2H3.
What are the key properties of 7-bromo-6-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline?
7-bromo-6-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 256.14 g/mol, XLogP of 2.49, 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-3-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 170736167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).