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

C15H13BrClN — CID 66158066

IUPAC5-bromo-8-chloro-3-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESClc1ccc(Br)c2c1CNC(c1ccccc1)C2
InChIInChI=1S/C15H13BrClN/c16-13-6-7-14(17)12-9-18-15(8-11(12)13)10-4-2-1-3-5-10/h1-7,15,18H,8-9H2
InChIKeyFSABRXPXDNKVRT-UHFFFAOYSA-N
MW322.63 g/mol
LogP4.49
Rot. Bonds1

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

5-bromo-8-chloro-3-phenyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 66158066) has the molecular formula C15H13BrClN and a molecular weight of 322.63 g/mol. Its IUPAC name is 5-bromo-8-chloro-3-phenyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-bromo-8-chloro-3-phenyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID66158066
Molecular FormulaC15H13BrClN
Molecular Weight322.63 g/mol
Exact Mass320.99
IUPAC Name5-bromo-8-chloro-3-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESClc1ccc(Br)c2c1CNC(c1ccccc1)C2
InChIInChI=1S/C15H13BrClN/c16-13-6-7-14(17)12-9-18-15(8-11(12)13)10-4-2-1-3-5-10/h1-7,15,18H,8-9H2
InChIKeyFSABRXPXDNKVRT-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.63
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-chloro-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-bromo-8-chloro-3-phenyl-1,2,3,4-tetrahydroisoquinoline (CID 66158066) is 5-bromo-8-chloro-3-phenyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-bromo-8-chloro-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-bromo-8-chloro-3-phenyl-1,2,3,4-tetrahydroisoquinoline is Clc1ccc(Br)c2c1CNC(c1ccccc1)C2.
What is the InChIKey of 5-bromo-8-chloro-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is FSABRXPXDNKVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN/c16-13-6-7-14(17)12-9-18-15(8-11(12)13)10-4-2-1-3-5-10/h1-7,15,18H,8-9H2.
What are the key properties of 5-bromo-8-chloro-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
5-bromo-8-chloro-3-phenyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 322.63 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-chloro-3-phenyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 66158066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).