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

C11H14BrN — CID 10823932

IUPAC6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline
SMILESCC1(C)CCNc2ccc(Br)cc21
InChIInChI=1S/C11H14BrN/c1-11(2)5-6-13-10-4-3-8(12)7-9(10)11/h3-4,7,13H,5-6H2,1-2H3
InChIKeyWBOOAXJWGJAIMB-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.54
Rot. Bonds

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

6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline (PubChem CID 10823932) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline
PubChem CID10823932
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline
SMILESCC1(C)CCNc2ccc(Br)cc21
InChIInChI=1S/C11H14BrN/c1-11(2)5-6-13-10-4-3-8(12)7-9(10)11/h3-4,7,13H,5-6H2,1-2H3
InChIKeyWBOOAXJWGJAIMB-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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Related Compounds

1,2,3,4-Tetrahydro-4-methylquinoline
CID 86854
5-Bromoindoline
CID 3411566
N-benzyl-4-bromoaniline
CID 961575
6-Bromo-1,2,3,4-tetrahydroquinoline
CID 4715029
(2S)-5-bromo-2-methyl-2,3-dihydro-1H-indole
CID 40815975
6-Bromo-2,2,4-trimethyl-1,2-dihydroquinoline
CID 10729464
(2R)-5-bromo-2-methyl-2,3-dihydro-1H-indole
CID 11984031
5-Bromo-1,2,3,4-tetrahydroquinoline
CID 13865046
4-Bromo-N,2-diethylaniline
CID 23053415
6-Bromo-2-methyl-1,2,3,4-tetrahydroquinoline
CID 264808
5-bromo-3,3-dimethyl-2,3-dihydro-1H-indole
CID 11183719
4-bromo-N,2-dimethylaniline
CID 22042599

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline?
The IUPAC name of 6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline (CID 10823932) is 6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline.
What is the SMILES notation for 6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline?
The canonical SMILES for 6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline is CC1(C)CCNc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline?
The InChIKey is WBOOAXJWGJAIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-11(2)5-6-13-10-4-3-8(12)7-9(10)11/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of 6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline?
6-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 6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 10823932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).