5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine

C11H16N2O — CID 84664219

IUPAC5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCOc1ccc(N)c2c1CCNC2C
InChIInChI=1S/C11H16N2O/c1-7-11-8(5-6-13-7)10(14-2)4-3-9(11)12/h3-4,7,13H,5-6,12H2,1-2H3
InChIKeyVAFDMSBDVVGECF-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.48
Rot. Bonds1

About 5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine

5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine (PubChem CID 84664219) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine.

Molecular Properties

Compound Name5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine
PubChem CID84664219
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESCOc1ccc(N)c2c1CCNC2C
InChIInChI=1S/C11H16N2O/c1-7-11-8(5-6-13-7)10(14-2)4-3-9(11)12/h3-4,7,13H,5-6,12H2,1-2H3
InChIKeyVAFDMSBDVVGECF-UHFFFAOYSA-N
XLogP1.48
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine
CID 84656202
6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 62375762
5-(5-hydroxy-4-methoxy-7,8-dihydronaphthalen-1-yl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 163015067
5,8-dimethoxy-1-[[4-(4-methoxy-3-pyridinyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 85470918
6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83691109
5,8-dimethoxy-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687985
8-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 84702415
5-fluoro-6-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline;2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 160708607
6-fluoro-5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83377554
4-methoxy-2,3-dihydro-1-benzofuran-7-amine
CID 82373059
2,3,4-trimethoxyaniline
CID 15455622
6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 84702414

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine?
The IUPAC name of 5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine (CID 84664219) is 5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine.
What is the SMILES notation for 5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine?
The canonical SMILES for 5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine is COc1ccc(N)c2c1CCNC2C.
What is the InChIKey of 5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine?
The InChIKey is VAFDMSBDVVGECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7-11-8(5-6-13-7)10(14-2)4-3-9(11)12/h3-4,7,13H,5-6,12H2,1-2H3.
What are the key properties of 5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine?
5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine has a molecular weight of 192.26 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine is sourced from PubChem (CID 84664219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).