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

C16H16BrNO — CID 63272318

IUPAC8-bromo-5-methoxy-3-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(Br)c2c1CC(c1ccccc1)NC2
InChIInChI=1S/C16H16BrNO/c1-19-16-8-7-14(17)13-10-18-15(9-12(13)16)11-5-3-2-4-6-11/h2-8,15,18H,9-10H2,1H3
InChIKeyUODKWQUAODKAPE-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.84
Rot. Bonds2

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

8-bromo-5-methoxy-3-phenyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 63272318) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 8-bromo-5-methoxy-3-phenyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-bromo-5-methoxy-3-phenyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID63272318
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name8-bromo-5-methoxy-3-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(Br)c2c1CC(c1ccccc1)NC2
InChIInChI=1S/C16H16BrNO/c1-19-16-8-7-14(17)13-10-18-15(9-12(13)16)11-5-3-2-4-6-11/h2-8,15,18H,9-10H2,1H3
InChIKeyUODKWQUAODKAPE-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.84
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-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-bromo-5-methoxy-3-phenyl-1,2,3,4-tetrahydroisoquinoline (CID 63272318) is 8-bromo-5-methoxy-3-phenyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-bromo-5-methoxy-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-bromo-5-methoxy-3-phenyl-1,2,3,4-tetrahydroisoquinoline is COc1ccc(Br)c2c1CC(c1ccccc1)NC2.
What is the InChIKey of 8-bromo-5-methoxy-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UODKWQUAODKAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-19-16-8-7-14(17)13-10-18-15(9-12(13)16)11-5-3-2-4-6-11/h2-8,15,18H,9-10H2,1H3.
What are the key properties of 8-bromo-5-methoxy-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
8-bromo-5-methoxy-3-phenyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 318.21 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methoxy-3-phenyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 63272318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).