6-bromo-8-methyl-2,3-dihydroisoquinolin-3-amine

C10H11BrN2 — CID 143569776

IUPAC6-bromo-8-methyl-2,3-dihydroisoquinolin-3-amine
SMILESCc1cc(Br)cc2c1=CNC(N)C=2
InChIInChI=1S/C10H11BrN2/c1-6-2-8(11)3-7-4-10(12)13-5-9(6)7/h2-5,10,13H,12H2,1H3
InChIKeyKBGSKIOLEQRSJQ-UHFFFAOYSA-N
MW239.12 g/mol
LogP0.16
Rot. Bonds

About 6-bromo-8-methyl-2,3-dihydroisoquinolin-3-amine

6-bromo-8-methyl-2,3-dihydroisoquinolin-3-amine (PubChem CID 143569776) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 6-bromo-8-methyl-2,3-dihydroisoquinolin-3-amine.

Molecular Properties

Compound Name6-bromo-8-methyl-2,3-dihydroisoquinolin-3-amine
PubChem CID143569776
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name6-bromo-8-methyl-2,3-dihydroisoquinolin-3-amine
SMILESCc1cc(Br)cc2c1=CNC(N)C=2
InChIInChI=1S/C10H11BrN2/c1-6-2-8(11)3-7-4-10(12)13-5-9(6)7/h2-5,10,13H,12H2,1H3
InChIKeyKBGSKIOLEQRSJQ-UHFFFAOYSA-N
XLogP0.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 159832251
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6-bromo-8-methylisoquinolin-3-amine
CID 58082294
6-bromo-8-methyl-1,2,3,4-tetrahydroquinolin-3-amine;dihydrochloride
CID 159832250
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[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine
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2,6-dibromo-4-methylpyridin-3-amine
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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-2,3-dihydroisoquinolin-3-amine?
The IUPAC name of 6-bromo-8-methyl-2,3-dihydroisoquinolin-3-amine (CID 143569776) is 6-bromo-8-methyl-2,3-dihydroisoquinolin-3-amine.
What is the SMILES notation for 6-bromo-8-methyl-2,3-dihydroisoquinolin-3-amine?
The canonical SMILES for 6-bromo-8-methyl-2,3-dihydroisoquinolin-3-amine is Cc1cc(Br)cc2c1=CNC(N)C=2.
What is the InChIKey of 6-bromo-8-methyl-2,3-dihydroisoquinolin-3-amine?
The InChIKey is KBGSKIOLEQRSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-6-2-8(11)3-7-4-10(12)13-5-9(6)7/h2-5,10,13H,12H2,1H3.
What are the key properties of 6-bromo-8-methyl-2,3-dihydroisoquinolin-3-amine?
6-bromo-8-methyl-2,3-dihydroisoquinolin-3-amine has a molecular weight of 239.12 g/mol, XLogP of 0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methyl-2,3-dihydroisoquinolin-3-amine is sourced from PubChem (CID 143569776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).