6-bromo-1,3-dimethyl-3,4-dihydroisoquinoline

C11H12BrN — CID 164531481

IUPAC6-bromo-1,3-dimethyl-3,4-dihydroisoquinoline
SMILESCC1=NC(C)Cc2cc(Br)ccc21
InChIInChI=1S/C11H12BrN/c1-7-5-9-6-10(12)3-4-11(9)8(2)13-7/h3-4,6-7H,5H2,1-2H3
InChIKeyQWRVMHLUHOLKCK-UHFFFAOYSA-N
MW238.13 g/mol
LogP3.20
Rot. Bonds

About 6-bromo-1,3-dimethyl-3,4-dihydroisoquinoline

6-bromo-1,3-dimethyl-3,4-dihydroisoquinoline (PubChem CID 164531481) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 6-bromo-1,3-dimethyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-bromo-1,3-dimethyl-3,4-dihydroisoquinoline
PubChem CID164531481
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name6-bromo-1,3-dimethyl-3,4-dihydroisoquinoline
SMILESCC1=NC(C)Cc2cc(Br)ccc21
InChIInChI=1S/C11H12BrN/c1-7-5-9-6-10(12)3-4-11(9)8(2)13-7/h3-4,6-7H,5H2,1-2H3
InChIKeyQWRVMHLUHOLKCK-UHFFFAOYSA-N
XLogP3.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 162045632
(2S)-5-bromo-2-hydroxy-2,3-dihydroinden-1-one
CID 58687126
2-bromo-7-methyl-9H-fluorene
CID 21041918
6-bromo-3-methoxy-1H-isoindole
CID 153140514
5-bromo-3-methyl-1H-isoindole
CID 20744879
5,13-dibromo-9-tetradecyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 90257174
(2S,3S)-6-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 147048026
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
(8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 163273815
(6R)-9-bromo-6-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118261769
6-bromo-1-methoxy-3,4-dihydroisoquinoline
CID 58851553

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,3-dimethyl-3,4-dihydroisoquinoline?
The IUPAC name of 6-bromo-1,3-dimethyl-3,4-dihydroisoquinoline (CID 164531481) is 6-bromo-1,3-dimethyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-bromo-1,3-dimethyl-3,4-dihydroisoquinoline?
The canonical SMILES for 6-bromo-1,3-dimethyl-3,4-dihydroisoquinoline is CC1=NC(C)Cc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-1,3-dimethyl-3,4-dihydroisoquinoline?
The InChIKey is QWRVMHLUHOLKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c1-7-5-9-6-10(12)3-4-11(9)8(2)13-7/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 6-bromo-1,3-dimethyl-3,4-dihydroisoquinoline?
6-bromo-1,3-dimethyl-3,4-dihydroisoquinoline has a molecular weight of 238.13 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,3-dimethyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 164531481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).