8-bromo-2-cyclopropyl-6-propan-2-yl-1,2,3,4-tetrahydroquinoline

C15H20BrN — CID 132589455

IUPAC8-bromo-2-cyclopropyl-6-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)c1cc(Br)c2c(c1)CCC(C1CC1)N2
InChIInChI=1S/C15H20BrN/c1-9(2)12-7-11-5-6-14(10-3-4-10)17-15(11)13(16)8-12/h7-10,14,17H,3-6H2,1-2H3
InChIKeyUHJIZRXUZRMNPR-UHFFFAOYSA-N
MW294.24 g/mol
LogP4.71
Rot. Bonds2

About 8-bromo-2-cyclopropyl-6-propan-2-yl-1,2,3,4-tetrahydroquinoline

8-bromo-2-cyclopropyl-6-propan-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 132589455) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is 8-bromo-2-cyclopropyl-6-propan-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-bromo-2-cyclopropyl-6-propan-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID132589455
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name8-bromo-2-cyclopropyl-6-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)c1cc(Br)c2c(c1)CCC(C1CC1)N2
InChIInChI=1S/C15H20BrN/c1-9(2)12-7-11-5-6-14(10-3-4-10)17-15(11)13(16)8-12/h7-10,14,17H,3-6H2,1-2H3
InChIKeyUHJIZRXUZRMNPR-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-cyclopropyl-6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-bromo-2-cyclopropyl-6-propan-2-yl-1,2,3,4-tetrahydroquinoline (CID 132589455) is 8-bromo-2-cyclopropyl-6-propan-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-bromo-2-cyclopropyl-6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-bromo-2-cyclopropyl-6-propan-2-yl-1,2,3,4-tetrahydroquinoline is CC(C)c1cc(Br)c2c(c1)CCC(C1CC1)N2.
What is the InChIKey of 8-bromo-2-cyclopropyl-6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is UHJIZRXUZRMNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c1-9(2)12-7-11-5-6-14(10-3-4-10)17-15(11)13(16)8-12/h7-10,14,17H,3-6H2,1-2H3.
What are the key properties of 8-bromo-2-cyclopropyl-6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
8-bromo-2-cyclopropyl-6-propan-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 294.24 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-cyclopropyl-6-propan-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 132589455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).