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

C11H14BrN — CID 18620064

IUPAC6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline
SMILESCC1(C)CCc2cc(Br)ccc2N1
InChIInChI=1S/C11H14BrN/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-4,7,13H,5-6H2,1-2H3
InChIKeyTVQLUTMFPJMIOS-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.59
Rot. Bonds

About 6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline

6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline (PubChem CID 18620064) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline
PubChem CID18620064
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline
SMILESCC1(C)CCc2cc(Br)ccc2N1
InChIInChI=1S/C11H14BrN/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-4,7,13H,5-6H2,1-2H3
InChIKeyTVQLUTMFPJMIOS-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline (CID 18620064) is 6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline is CC1(C)CCc2cc(Br)ccc2N1.
What is the InChIKey of 6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline?
The InChIKey is TVQLUTMFPJMIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of 6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline?
6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline has a molecular weight of 240.14 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 18620064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).