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

C12H16BrN — CID 117193851

IUPAC6-bromo-2,2,3-trimethyl-3,4-dihydro-1H-quinoline
SMILESCC1Cc2cc(Br)ccc2NC1(C)C
InChIInChI=1S/C12H16BrN/c1-8-6-9-7-10(13)4-5-11(9)14-12(8,2)3/h4-5,7-8,14H,6H2,1-3H3
InChIKeyIUZXBFXUEWABMM-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.83
Rot. Bonds

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

6-bromo-2,2,3-trimethyl-3,4-dihydro-1H-quinoline (PubChem CID 117193851) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 6-bromo-2,2,3-trimethyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name6-bromo-2,2,3-trimethyl-3,4-dihydro-1H-quinoline
PubChem CID117193851
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name6-bromo-2,2,3-trimethyl-3,4-dihydro-1H-quinoline
SMILESCC1Cc2cc(Br)ccc2NC1(C)C
InChIInChI=1S/C12H16BrN/c1-8-6-9-7-10(13)4-5-11(9)14-12(8,2)3/h4-5,7-8,14H,6H2,1-3H3
InChIKeyIUZXBFXUEWABMM-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2,2-dimethyl-3,4-dihydro-1H-quinoline
CID 18620064
7-bromo-2-ethyl-2,3-dimethyl-3,4-dihydro-1H-quinoline
CID 117193897
6-bromo-2,2,3,4-tetramethyl-3,4-dihydro-1H-quinoline
CID 117193854
methyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate
CID 117193320
5-bromo-2-methoxy-2,3-dihydro-1H-indole
CID 160760418
CID 101024891
CID 101024891
6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 162045632
[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol
CID 131181494
3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine
CID 83867014
5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 83488810
N-acetyl-N-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)acetamide
CID 22496619
2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine
CID 84641162

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,2,3-trimethyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 6-bromo-2,2,3-trimethyl-3,4-dihydro-1H-quinoline (CID 117193851) is 6-bromo-2,2,3-trimethyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 6-bromo-2,2,3-trimethyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 6-bromo-2,2,3-trimethyl-3,4-dihydro-1H-quinoline is CC1Cc2cc(Br)ccc2NC1(C)C.
What is the InChIKey of 6-bromo-2,2,3-trimethyl-3,4-dihydro-1H-quinoline?
The InChIKey is IUZXBFXUEWABMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-8-6-9-7-10(13)4-5-11(9)14-12(8,2)3/h4-5,7-8,14H,6H2,1-3H3.
What are the key properties of 6-bromo-2,2,3-trimethyl-3,4-dihydro-1H-quinoline?
6-bromo-2,2,3-trimethyl-3,4-dihydro-1H-quinoline has a molecular weight of 254.17 g/mol, XLogP of 3.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,2,3-trimethyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 117193851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).