1-(8-methylisoquinolin-5-yl)propan-2-amine

C13H16N2 — CID 82577426

IUPAC1-(8-methylisoquinolin-5-yl)propan-2-amine
SMILESCc1ccc(CC(C)N)c2ccncc12
InChIInChI=1S/C13H16N2/c1-9-3-4-11(7-10(2)14)12-5-6-15-8-13(9)12/h3-6,8,10H,7,14H2,1-2H3
InChIKeyFWSFDVWEBTXLNZ-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.43
Rot. Bonds2

About 1-(8-methylisoquinolin-5-yl)propan-2-amine

1-(8-methylisoquinolin-5-yl)propan-2-amine (PubChem CID 82577426) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(8-methylisoquinolin-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(8-methylisoquinolin-5-yl)propan-2-amine
PubChem CID82577426
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name1-(8-methylisoquinolin-5-yl)propan-2-amine
SMILESCc1ccc(CC(C)N)c2ccncc12
InChIInChI=1S/C13H16N2/c1-9-3-4-11(7-10(2)14)12-5-6-15-8-13(9)12/h3-6,8,10H,7,14H2,1-2H3
InChIKeyFWSFDVWEBTXLNZ-UHFFFAOYSA-N
XLogP2.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-fluoroisoquinolin-5-yl)propan-2-amine
CID 82577419
3-(8-methoxyisoquinolin-5-yl)-2-methylpropan-1-amine
CID 82576731
1-(3-methoxy-4-pyridinyl)propan-2-amine
CID 112712024
CID 171812970
CID 171812970
5-fluoro-8-methylisoquinoline
CID 125425947
3,3-dimethyl-1-(8-nitroisoquinolin-5-yl)butan-2-amine
CID 63196644
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
1-[3-methyl-2-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 112615409
5-(2-bromopropyl)-8-nitroisoquinoline
CID 63202876
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
1-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)propan-2-amine
CID 117292036
8-ethylisoquinolin-5-amine
CID 58807103

Frequently Asked Questions

What is the IUPAC name of 1-(8-methylisoquinolin-5-yl)propan-2-amine?
The IUPAC name of 1-(8-methylisoquinolin-5-yl)propan-2-amine (CID 82577426) is 1-(8-methylisoquinolin-5-yl)propan-2-amine.
What is the SMILES notation for 1-(8-methylisoquinolin-5-yl)propan-2-amine?
The canonical SMILES for 1-(8-methylisoquinolin-5-yl)propan-2-amine is Cc1ccc(CC(C)N)c2ccncc12.
What is the InChIKey of 1-(8-methylisoquinolin-5-yl)propan-2-amine?
The InChIKey is FWSFDVWEBTXLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-9-3-4-11(7-10(2)14)12-5-6-15-8-13(9)12/h3-6,8,10H,7,14H2,1-2H3.
What are the key properties of 1-(8-methylisoquinolin-5-yl)propan-2-amine?
1-(8-methylisoquinolin-5-yl)propan-2-amine has a molecular weight of 200.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methylisoquinolin-5-yl)propan-2-amine is sourced from PubChem (CID 82577426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).