4-bromo-N,5-dimethylisoquinolin-1-amine

C11H11BrN2 — CID 82572195

IUPAC4-bromo-N,5-dimethylisoquinolin-1-amine
SMILESCNc1ncc(Br)c2c(C)cccc12
InChIInChI=1S/C11H11BrN2/c1-7-4-3-5-8-10(7)9(12)6-14-11(8)13-2/h3-6H,1-2H3,(H,13,14)
InChIKeyWJMXRQDBVGNPHX-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.35
Rot. Bonds1

About 4-bromo-N,5-dimethylisoquinolin-1-amine

4-bromo-N,5-dimethylisoquinolin-1-amine (PubChem CID 82572195) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 4-bromo-N,5-dimethylisoquinolin-1-amine.

Molecular Properties

Compound Name4-bromo-N,5-dimethylisoquinolin-1-amine
PubChem CID82572195
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name4-bromo-N,5-dimethylisoquinolin-1-amine
SMILESCNc1ncc(Br)c2c(C)cccc12
InChIInChI=1S/C11H11BrN2/c1-7-4-3-5-8-10(7)9(12)6-14-11(8)13-2/h3-6H,1-2H3,(H,13,14)
InChIKeyWJMXRQDBVGNPHX-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-N,8-dimethylisoquinoline-1,5-diamine
CID 82572186
7-bromo-N-methyl-1H-pyrazolo[4,5-c]pyridin-4-amine
CID 169113953
5-bromo-N-methyl-2-(2-methylquinolin-4-yl)pyrimidin-4-amine
CID 79235763
5-bromo-2-(2-methoxynaphthalen-1-yl)-N-methylpyrimidin-4-amine
CID 66297989
4-bromo-1,5-dimethoxyisoquinoline
CID 84712002
4-bromo-1-methoxyisoquinolin-5-ol
CID 84708016
N,4-dimethyl-1,2-benzoxazol-3-amine
CID 119083756
4-bromo-N-ethyl-8-fluoroisoquinolin-1-amine
CID 82572211
1,5,12-trimethyltriphenylene
CID 102264978
5-bromo-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine
CID 66296448
5-bromo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 104823414
5-bromo-2-(3-chlorophenyl)-N-methylpyrimidin-4-amine
CID 66302245

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,5-dimethylisoquinolin-1-amine?
The IUPAC name of 4-bromo-N,5-dimethylisoquinolin-1-amine (CID 82572195) is 4-bromo-N,5-dimethylisoquinolin-1-amine.
What is the SMILES notation for 4-bromo-N,5-dimethylisoquinolin-1-amine?
The canonical SMILES for 4-bromo-N,5-dimethylisoquinolin-1-amine is CNc1ncc(Br)c2c(C)cccc12.
What is the InChIKey of 4-bromo-N,5-dimethylisoquinolin-1-amine?
The InChIKey is WJMXRQDBVGNPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-7-4-3-5-8-10(7)9(12)6-14-11(8)13-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of 4-bromo-N,5-dimethylisoquinolin-1-amine?
4-bromo-N,5-dimethylisoquinolin-1-amine has a molecular weight of 251.13 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,5-dimethylisoquinolin-1-amine is sourced from PubChem (CID 82572195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).