5-methoxy-1,2,3,4-tetrahydroisoquinolin-6-amine

C10H14N2O — CID 84656591

IUPAC5-methoxy-1,2,3,4-tetrahydroisoquinolin-6-amine
SMILESCOc1c(N)ccc2c1CCNC2
InChIInChI=1S/C10H14N2O/c1-13-10-8-4-5-12-6-7(8)2-3-9(10)11/h2-3,12H,4-6,11H2,1H3
InChIKeySCDKOFUDDVOWPP-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.92
Rot. Bonds1

About 5-methoxy-1,2,3,4-tetrahydroisoquinolin-6-amine

5-methoxy-1,2,3,4-tetrahydroisoquinolin-6-amine (PubChem CID 84656591) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-methoxy-1,2,3,4-tetrahydroisoquinolin-6-amine.

Molecular Properties

Compound Name5-methoxy-1,2,3,4-tetrahydroisoquinolin-6-amine
PubChem CID84656591
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name5-methoxy-1,2,3,4-tetrahydroisoquinolin-6-amine
SMILESCOc1c(N)ccc2c1CCNC2
InChIInChI=1S/C10H14N2O/c1-13-10-8-4-5-12-6-7(8)2-3-9(10)11/h2-3,12H,4-6,11H2,1H3
InChIKeySCDKOFUDDVOWPP-UHFFFAOYSA-N
XLogP0.92
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83874749
6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83820244
6-ethoxy-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 160634725
6-amino-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 84651923
6-(2,2-difluoroethoxy)-5-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 162309445
5-methoxy-6-(3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydroisoquinoline
CID 118940185
6-methoxy-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 83875098
5-methoxy-6-(3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 162334890
8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine
CID 84656610
6-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine
CID 59862329
6-methoxy-5-nitro-1,2,3,4-tetrahydroisoquinoline
CID 59585598
5-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride
CID 146585921

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2,3,4-tetrahydroisoquinolin-6-amine?
The IUPAC name of 5-methoxy-1,2,3,4-tetrahydroisoquinolin-6-amine (CID 84656591) is 5-methoxy-1,2,3,4-tetrahydroisoquinolin-6-amine.
What is the SMILES notation for 5-methoxy-1,2,3,4-tetrahydroisoquinolin-6-amine?
The canonical SMILES for 5-methoxy-1,2,3,4-tetrahydroisoquinolin-6-amine is COc1c(N)ccc2c1CCNC2.
What is the InChIKey of 5-methoxy-1,2,3,4-tetrahydroisoquinolin-6-amine?
The InChIKey is SCDKOFUDDVOWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-13-10-8-4-5-12-6-7(8)2-3-9(10)11/h2-3,12H,4-6,11H2,1H3.
What are the key properties of 5-methoxy-1,2,3,4-tetrahydroisoquinolin-6-amine?
5-methoxy-1,2,3,4-tetrahydroisoquinolin-6-amine has a molecular weight of 178.24 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2,3,4-tetrahydroisoquinolin-6-amine is sourced from PubChem (CID 84656591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).