N-methyl-2-(4-methylisoquinolin-7-yl)ethanamine

C13H16N2 — CID 117289513

IUPACN-methyl-2-(4-methylisoquinolin-7-yl)ethanamine
SMILESCNCCc1ccc2c(C)cncc2c1
InChIInChI=1S/C13H16N2/c1-10-8-15-9-12-7-11(5-6-14-2)3-4-13(10)12/h3-4,7-9,14H,5-6H2,1-2H3
InChIKeyFBUURQKFBOCSDE-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.31
Rot. Bonds3

About N-methyl-2-(4-methylisoquinolin-7-yl)ethanamine

N-methyl-2-(4-methylisoquinolin-7-yl)ethanamine (PubChem CID 117289513) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-methyl-2-(4-methylisoquinolin-7-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylisoquinolin-7-yl)ethanamine
PubChem CID117289513
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC NameN-methyl-2-(4-methylisoquinolin-7-yl)ethanamine
SMILESCNCCc1ccc2c(C)cncc2c1
InChIInChI=1S/C13H16N2/c1-10-8-15-9-12-7-11(5-6-14-2)3-4-13(10)12/h3-4,7-9,14H,5-6H2,1-2H3
InChIKeyFBUURQKFBOCSDE-UHFFFAOYSA-N
XLogP2.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylisoquinolin-7-yl)propanal
CID 117288759
4-(4-methylisoquinolin-7-yl)butanoic acid
CID 117330539
N-methyl-2-(5-methyl-3-pyridinyl)ethanamine
CID 82594770
2-(1,3-dimethylindol-6-yl)-N-methylethanamine
CID 117205026
N-methyl-2-(4-methylquinolin-6-yl)ethanamine
CID 83880761
ethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine
CID 144547592
2-(4-ethylisoquinolin-7-yl)ethanamine
CID 117289480
2-(1H-indol-5-yl)-N-methylethanamine
CID 82374641
2-(1-benzofuran-5-yl)-N-methylethanamine
CID 168924293
2-(3-bromo-5-methyl-4-pyridinyl)-N-methylethanamine
CID 84692427
N-methyl-2-(2-methyl-1-propan-2-ylindol-5-yl)ethanamine
CID 117204605
ethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 142828358

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylisoquinolin-7-yl)ethanamine?
The IUPAC name of N-methyl-2-(4-methylisoquinolin-7-yl)ethanamine (CID 117289513) is N-methyl-2-(4-methylisoquinolin-7-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methylisoquinolin-7-yl)ethanamine?
The canonical SMILES for N-methyl-2-(4-methylisoquinolin-7-yl)ethanamine is CNCCc1ccc2c(C)cncc2c1.
What is the InChIKey of N-methyl-2-(4-methylisoquinolin-7-yl)ethanamine?
The InChIKey is FBUURQKFBOCSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10-8-15-9-12-7-11(5-6-14-2)3-4-13(10)12/h3-4,7-9,14H,5-6H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylisoquinolin-7-yl)ethanamine?
N-methyl-2-(4-methylisoquinolin-7-yl)ethanamine has a molecular weight of 200.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylisoquinolin-7-yl)ethanamine is sourced from PubChem (CID 117289513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).