8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane

C11H16BrN — CID 143708719

IUPAC8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
SMILESBrc1cccc2c1CNCC2.CC
InChIInChI=1S/C9H10BrN.C2H6/c10-9-3-1-2-7-4-5-11-6-8(7)9;1-2/h1-3,11H,4-6H2;1-2H3
InChIKeyBELDGPJYTUJUFJ-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.12
Rot. Bonds

About 8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane

8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane (PubChem CID 143708719) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane.

Molecular Properties

Compound Name8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
PubChem CID143708719
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
SMILESBrc1cccc2c1CNCC2.CC
InChIInChI=1S/C9H10BrN.C2H6/c10-9-3-1-2-7-4-5-11-6-8(7)9;1-2/h1-3,11H,4-6H2;1-2H3
InChIKeyBELDGPJYTUJUFJ-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 45074043
9-bromo-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine
CID 84729232
1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine
CID 104557368
8-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline
CID 23336540
tert-butyl-dimethyl-(1,2,3,4-tetrahydroisoquinolin-8-yloxy)silane
CID 167736770
(1S)-N-methyl-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethanamine
CID 137382325
N-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 82582888
methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate
CID 45074001
8-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline
CID 106779504
8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 142903314
6-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride
CID 122156732

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane?
The IUPAC name of 8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane (CID 143708719) is 8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane.
What is the SMILES notation for 8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane?
The canonical SMILES for 8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane is Brc1cccc2c1CNCC2.CC.
What is the InChIKey of 8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane?
The InChIKey is BELDGPJYTUJUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN.C2H6/c10-9-3-1-2-7-4-5-11-6-8(7)9;1-2/h1-3,11H,4-6H2;1-2H3.
What are the key properties of 8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane?
8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane has a molecular weight of 242.16 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane is sourced from PubChem (CID 143708719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).