1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine

C13H20N2O — CID 105476247

IUPAC1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine
SMILESCOc1ccc2c(c1)CNC(CN(C)C)C2
InChIInChI=1S/C13H20N2O/c1-15(2)9-12-6-10-4-5-13(16-3)7-11(10)8-14-12/h4-5,7,12,14H,6,8-9H2,1-3H3
InChIKeyKQXWRNFRRCRIMC-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.27
Rot. Bonds3

About 1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine

1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine (PubChem CID 105476247) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine
PubChem CID105476247
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine
SMILESCOc1ccc2c(c1)CNC(CN(C)C)C2
InChIInChI=1S/C13H20N2O/c1-15(2)9-12-6-10-4-5-13(16-3)7-11(10)8-14-12/h4-5,7,12,14H,6,8-9H2,1-3H3
InChIKeyKQXWRNFRRCRIMC-UHFFFAOYSA-N
XLogP1.27
TPSA24.50 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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine with MolForge

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Related Compounds

3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375759
1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 84739877
[(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 130682443
N-ethyl-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 23397076
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592
6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 20566245
1-(6-methoxy-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride
CID 19982151
(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334379
2-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indene
CID 134338473
(2S)-2-[(dimethylamino)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 70254705
ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 143868283
5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene
CID 20537552

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine (CID 105476247) is 1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine is COc1ccc2c(c1)CNC(CN(C)C)C2.
What is the InChIKey of 1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine?
The InChIKey is KQXWRNFRRCRIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(2)9-12-6-10-4-5-13(16-3)7-11(10)8-14-12/h4-5,7,12,14H,6,8-9H2,1-3H3.
What are the key properties of 1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine?
1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 105476247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).