(7-bromo-3-methylisoquinolin-1-yl)methanamine

C11H11BrN2 — CID 84707384

IUPAC(7-bromo-3-methylisoquinolin-1-yl)methanamine
SMILESCc1cc2ccc(Br)cc2c(CN)n1
InChIInChI=1S/C11H11BrN2/c1-7-4-8-2-3-9(12)5-10(8)11(6-13)14-7/h2-5H,6,13H2,1H3
InChIKeyGGWXPFOUIOMHNC-UHFFFAOYSA-N
MW251.13 g/mol
LogP2.76
Rot. Bonds1

About (7-bromo-3-methylisoquinolin-1-yl)methanamine

(7-bromo-3-methylisoquinolin-1-yl)methanamine (PubChem CID 84707384) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is (7-bromo-3-methylisoquinolin-1-yl)methanamine.

Molecular Properties

Compound Name(7-bromo-3-methylisoquinolin-1-yl)methanamine
PubChem CID84707384
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name(7-bromo-3-methylisoquinolin-1-yl)methanamine
SMILESCc1cc2ccc(Br)cc2c(CN)n1
InChIInChI=1S/C11H11BrN2/c1-7-4-8-2-3-9(12)5-10(8)11(6-13)14-7/h2-5H,6,13H2,1H3
InChIKeyGGWXPFOUIOMHNC-UHFFFAOYSA-N
XLogP2.76
TPSA38.91 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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-bromo-3-methylisoquinolin-1-yl)methanamine?
The IUPAC name of (7-bromo-3-methylisoquinolin-1-yl)methanamine (CID 84707384) is (7-bromo-3-methylisoquinolin-1-yl)methanamine.
What is the SMILES notation for (7-bromo-3-methylisoquinolin-1-yl)methanamine?
The canonical SMILES for (7-bromo-3-methylisoquinolin-1-yl)methanamine is Cc1cc2ccc(Br)cc2c(CN)n1.
What is the InChIKey of (7-bromo-3-methylisoquinolin-1-yl)methanamine?
The InChIKey is GGWXPFOUIOMHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-7-4-8-2-3-9(12)5-10(8)11(6-13)14-7/h2-5H,6,13H2,1H3.
What are the key properties of (7-bromo-3-methylisoquinolin-1-yl)methanamine?
(7-bromo-3-methylisoquinolin-1-yl)methanamine has a molecular weight of 251.13 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-3-methylisoquinolin-1-yl)methanamine is sourced from PubChem (CID 84707384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).