2-(3-methylisoquinolin-5-yl)ethanamine

C12H14N2 — CID 82575483

IUPAC2-(3-methylisoquinolin-5-yl)ethanamine
SMILESCc1cc2c(CCN)cccc2cn1
InChIInChI=1S/C12H14N2/c1-9-7-12-10(5-6-13)3-2-4-11(12)8-14-9/h2-4,7-8H,5-6,13H2,1H3
InChIKeyXQWJOWVWWLRKBE-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.04
Rot. Bonds2

About 2-(3-methylisoquinolin-5-yl)ethanamine

2-(3-methylisoquinolin-5-yl)ethanamine (PubChem CID 82575483) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-(3-methylisoquinolin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylisoquinolin-5-yl)ethanamine
PubChem CID82575483
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-(3-methylisoquinolin-5-yl)ethanamine
SMILESCc1cc2c(CCN)cccc2cn1
InChIInChI=1S/C12H14N2/c1-9-7-12-10(5-6-13)3-2-4-11(12)8-14-9/h2-4,7-8H,5-6,13H2,1H3
InChIKeyXQWJOWVWWLRKBE-UHFFFAOYSA-N
XLogP2.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylisoquinolin-5-yl)ethanamine?
The IUPAC name of 2-(3-methylisoquinolin-5-yl)ethanamine (CID 82575483) is 2-(3-methylisoquinolin-5-yl)ethanamine.
What is the SMILES notation for 2-(3-methylisoquinolin-5-yl)ethanamine?
The canonical SMILES for 2-(3-methylisoquinolin-5-yl)ethanamine is Cc1cc2c(CCN)cccc2cn1.
What is the InChIKey of 2-(3-methylisoquinolin-5-yl)ethanamine?
The InChIKey is XQWJOWVWWLRKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-7-12-10(5-6-13)3-2-4-11(12)8-14-9/h2-4,7-8H,5-6,13H2,1H3.
What are the key properties of 2-(3-methylisoquinolin-5-yl)ethanamine?
2-(3-methylisoquinolin-5-yl)ethanamine has a molecular weight of 186.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylisoquinolin-5-yl)ethanamine is sourced from PubChem (CID 82575483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).