8-bromo-2-tert-butyl-6-chloro-1,2,3,4-tetrahydroquinoline

C13H17BrClN — CID 132589608

IUPAC8-bromo-2-tert-butyl-6-chloro-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)C1CCc2cc(Cl)cc(Br)c2N1
InChIInChI=1S/C13H17BrClN/c1-13(2,3)11-5-4-8-6-9(15)7-10(14)12(8)16-11/h6-7,11,16H,4-5H2,1-3H3
InChIKeyYDFDDOYBKUCNFU-UHFFFAOYSA-N
MW302.64 g/mol
LogP4.88
Rot. Bonds

About 8-bromo-2-tert-butyl-6-chloro-1,2,3,4-tetrahydroquinoline

8-bromo-2-tert-butyl-6-chloro-1,2,3,4-tetrahydroquinoline (PubChem CID 132589608) has the molecular formula C13H17BrClN and a molecular weight of 302.64 g/mol. Its IUPAC name is 8-bromo-2-tert-butyl-6-chloro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-bromo-2-tert-butyl-6-chloro-1,2,3,4-tetrahydroquinoline
PubChem CID132589608
Molecular FormulaC13H17BrClN
Molecular Weight302.64 g/mol
Exact Mass301.02
IUPAC Name8-bromo-2-tert-butyl-6-chloro-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)C1CCc2cc(Cl)cc(Br)c2N1
InChIInChI=1S/C13H17BrClN/c1-13(2,3)11-5-4-8-6-9(15)7-10(14)12(8)16-11/h6-7,11,16H,4-5H2,1-3H3
InChIKeyYDFDDOYBKUCNFU-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.64
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-tert-butyl-6-chloro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-bromo-2-tert-butyl-6-chloro-1,2,3,4-tetrahydroquinoline (CID 132589608) is 8-bromo-2-tert-butyl-6-chloro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-bromo-2-tert-butyl-6-chloro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-bromo-2-tert-butyl-6-chloro-1,2,3,4-tetrahydroquinoline is CC(C)(C)C1CCc2cc(Cl)cc(Br)c2N1.
What is the InChIKey of 8-bromo-2-tert-butyl-6-chloro-1,2,3,4-tetrahydroquinoline?
The InChIKey is YDFDDOYBKUCNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN/c1-13(2,3)11-5-4-8-6-9(15)7-10(14)12(8)16-11/h6-7,11,16H,4-5H2,1-3H3.
What are the key properties of 8-bromo-2-tert-butyl-6-chloro-1,2,3,4-tetrahydroquinoline?
8-bromo-2-tert-butyl-6-chloro-1,2,3,4-tetrahydroquinoline has a molecular weight of 302.64 g/mol, XLogP of 4.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-tert-butyl-6-chloro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 132589608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).