6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline

C15H14BrN — CID 164550250

IUPAC6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline
SMILESBrc1ccc2c(c1)CCC(c1ccccc1)N2
InChIInChI=1S/C15H14BrN/c16-13-7-9-15-12(10-13)6-8-14(17-15)11-4-2-1-3-5-11/h1-5,7,9-10,14,17H,6,8H2
InChIKeyOJVMVEZEJFEBEW-UHFFFAOYSA-N
MW288.19 g/mol
LogP4.55
Rot. Bonds1

About 6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline

6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline (PubChem CID 164550250) has the molecular formula C15H14BrN and a molecular weight of 288.19 g/mol. Its IUPAC name is 6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline
PubChem CID164550250
Molecular FormulaC15H14BrN
Molecular Weight288.19 g/mol
Exact Mass287.03
IUPAC Name6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline
SMILESBrc1ccc2c(c1)CCC(c1ccccc1)N2
InChIInChI=1S/C15H14BrN/c16-13-7-9-15-12(10-13)6-8-14(17-15)11-4-2-1-3-5-11/h1-5,7,9-10,14,17H,6,8H2
InChIKeyOJVMVEZEJFEBEW-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline (CID 164550250) is 6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline is Brc1ccc2c(c1)CCC(c1ccccc1)N2.
What is the InChIKey of 6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is OJVMVEZEJFEBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN/c16-13-7-9-15-12(10-13)6-8-14(17-15)11-4-2-1-3-5-11/h1-5,7,9-10,14,17H,6,8H2.
What are the key properties of 6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline?
6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 288.19 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 164550250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).