8-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline

C11H14BrN — CID 53408509

IUPAC8-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline
SMILESCC1(C)CCNc2c(Br)cccc21
InChIInChI=1S/C11H14BrN/c1-11(2)6-7-13-10-8(11)4-3-5-9(10)12/h3-5,13H,6-7H2,1-2H3
InChIKeyIHURQQGYYFINIK-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.54
Rot. Bonds

About 8-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline

8-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline (PubChem CID 53408509) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 8-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name8-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline
PubChem CID53408509
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name8-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline
SMILESCC1(C)CCNc2c(Br)cccc21
InChIInChI=1S/C11H14BrN/c1-11(2)6-7-13-10-8(11)4-3-5-9(10)12/h3-5,13H,6-7H2,1-2H3
InChIKeyIHURQQGYYFINIK-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline?
The IUPAC name of 8-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline (CID 53408509) is 8-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline.
What is the SMILES notation for 8-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline?
The canonical SMILES for 8-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline is CC1(C)CCNc2c(Br)cccc21.
What is the InChIKey of 8-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline?
The InChIKey is IHURQQGYYFINIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-11(2)6-7-13-10-8(11)4-3-5-9(10)12/h3-5,13H,6-7H2,1-2H3.
What are the key properties of 8-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline?
8-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline has a molecular weight of 240.14 g/mol, XLogP of 3.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 53408509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).