2-(8-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine

C13H20N2O — CID 82279849

IUPAC2-(8-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
SMILESCOc1cc(C)cc2c1CN(CCN)CC2
InChIInChI=1S/C13H20N2O/c1-10-7-11-3-5-15(6-4-14)9-12(11)13(8-10)16-2/h7-8H,3-6,9,14H2,1-2H3
InChIKeyNHZLVENDTDMWGZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.32
Rot. Bonds3

About 2-(8-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine

2-(8-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine (PubChem CID 82279849) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(8-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(8-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
PubChem CID82279849
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(8-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
SMILESCOc1cc(C)cc2c1CN(CCN)CC2
InChIInChI=1S/C13H20N2O/c1-10-7-11-3-5-15(6-4-14)9-12(11)13(8-10)16-2/h7-8H,3-6,9,14H2,1-2H3
InChIKeyNHZLVENDTDMWGZ-UHFFFAOYSA-N
XLogP1.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(8-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine with MolForge

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Related Compounds

2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279846
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine;dihydrochloride
CID 23111955
2-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279835
2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline
CID 110457114
2-(3-aminopropyl)-7-methyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 82581888
1-(6-bromo-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 166693261
2-(aminomethyl)-5-methoxy-7-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 10421024
2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581881
1-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol
CID 64819613
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 54942886
2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol
CID 110457131
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The IUPAC name of 2-(8-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine (CID 82279849) is 2-(8-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine.
What is the SMILES notation for 2-(8-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The canonical SMILES for 2-(8-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine is COc1cc(C)cc2c1CN(CCN)CC2.
What is the InChIKey of 2-(8-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The InChIKey is NHZLVENDTDMWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-7-11-3-5-15(6-4-14)9-12(11)13(8-10)16-2/h7-8H,3-6,9,14H2,1-2H3.
What are the key properties of 2-(8-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
2-(8-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine is sourced from PubChem (CID 82279849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).