(2S)-6-bromo-2-methyl-1,2,3,4-tetrahydroquinoline

C10H12BrN — CID 56971724

IUPAC(2S)-6-bromo-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESC[C@H]1CCc2cc(Br)ccc2N1
InChIInChI=1S/C10H12BrN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h4-7,12H,2-3H2,1H3/t7-/m0/s1
InChIKeyQWGAZLNZSGHSGE-ZETCQYMHSA-N
MW226.12 g/mol
LogP3.20
Rot. Bonds

About (2S)-6-bromo-2-methyl-1,2,3,4-tetrahydroquinoline

(2S)-6-bromo-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 56971724) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is (2S)-6-bromo-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2S)-6-bromo-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID56971724
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name(2S)-6-bromo-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESC[C@H]1CCc2cc(Br)ccc2N1
InChIInChI=1S/C10H12BrN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h4-7,12H,2-3H2,1H3/t7-/m0/s1
InChIKeyQWGAZLNZSGHSGE-ZETCQYMHSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-bromo-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2S)-6-bromo-2-methyl-1,2,3,4-tetrahydroquinoline (CID 56971724) is (2S)-6-bromo-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2S)-6-bromo-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2S)-6-bromo-2-methyl-1,2,3,4-tetrahydroquinoline is C[C@H]1CCc2cc(Br)ccc2N1.
What is the InChIKey of (2S)-6-bromo-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is QWGAZLNZSGHSGE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12BrN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h4-7,12H,2-3H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-6-bromo-2-methyl-1,2,3,4-tetrahydroquinoline?
(2S)-6-bromo-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 226.12 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-bromo-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 56971724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).