8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline

C10H12BrN — CID 82008492

IUPAC8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(Br)c2c1CCCN2
InChIInChI=1S/C10H12BrN/c1-7-4-5-9(11)10-8(7)3-2-6-12-10/h4-5,12H,2-3,6H2,1H3
InChIKeyBLOUAUSKYSVNQU-UHFFFAOYSA-N
MW226.12 g/mol
LogP3.12
Rot. Bonds

About 8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline

8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 82008492) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID82008492
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc(Br)c2c1CCCN2
InChIInChI=1S/C10H12BrN/c1-7-4-5-9(11)10-8(7)3-2-6-12-10/h4-5,12H,2-3,6H2,1H3
InChIKeyBLOUAUSKYSVNQU-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline (CID 82008492) is 8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline is Cc1ccc(Br)c2c1CCCN2.
What is the InChIKey of 8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is BLOUAUSKYSVNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c1-7-4-5-9(11)10-8(7)3-2-6-12-10/h4-5,12H,2-3,6H2,1H3.
What are the key properties of 8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline?
8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 226.12 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 82008492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).