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

C14H20BrN — CID 132589602

IUPAC8-bromo-2-tert-butyl-6-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(Br)c2c(c1)CCC(C(C)(C)C)N2
InChIInChI=1S/C14H20BrN/c1-9-7-10-5-6-12(14(2,3)4)16-13(10)11(15)8-9/h7-8,12,16H,5-6H2,1-4H3
InChIKeyWWGULMZKJZJBJX-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.53
Rot. Bonds

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

8-bromo-2-tert-butyl-6-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 132589602) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 8-bromo-2-tert-butyl-6-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-bromo-2-tert-butyl-6-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID132589602
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name8-bromo-2-tert-butyl-6-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(Br)c2c(c1)CCC(C(C)(C)C)N2
InChIInChI=1S/C14H20BrN/c1-9-7-10-5-6-12(14(2,3)4)16-13(10)11(15)8-9/h7-8,12,16H,5-6H2,1-4H3
InChIKeyWWGULMZKJZJBJX-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.53
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-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-bromo-2-tert-butyl-6-methyl-1,2,3,4-tetrahydroquinoline (CID 132589602) is 8-bromo-2-tert-butyl-6-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-bromo-2-tert-butyl-6-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-bromo-2-tert-butyl-6-methyl-1,2,3,4-tetrahydroquinoline is Cc1cc(Br)c2c(c1)CCC(C(C)(C)C)N2.
What is the InChIKey of 8-bromo-2-tert-butyl-6-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is WWGULMZKJZJBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-9-7-10-5-6-12(14(2,3)4)16-13(10)11(15)8-9/h7-8,12,16H,5-6H2,1-4H3.
What are the key properties of 8-bromo-2-tert-butyl-6-methyl-1,2,3,4-tetrahydroquinoline?
8-bromo-2-tert-butyl-6-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 282.22 g/mol, XLogP of 4.53, 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-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 132589602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).