5-methoxy-1-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline

C14H21NO2 — CID 106781714

IUPAC5-methoxy-1-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOCCCC1NCCc2c(OC)cccc21
InChIInChI=1S/C14H21NO2/c1-16-10-4-6-13-11-5-3-7-14(17-2)12(11)8-9-15-13/h3,5,7,13,15H,4,6,8-10H2,1-2H3
InChIKeyPFHGLFHOWLXIRY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.31
Rot. Bonds5

About 5-methoxy-1-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline

5-methoxy-1-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106781714) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-methoxy-1-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-methoxy-1-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID106781714
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-methoxy-1-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOCCCC1NCCc2c(OC)cccc21
InChIInChI=1S/C14H21NO2/c1-16-10-4-6-13-11-5-3-7-14(17-2)12(11)8-9-15-13/h3,5,7,13,15H,4,6,8-10H2,1-2H3
InChIKeyPFHGLFHOWLXIRY-UHFFFAOYSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-1-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline
CID 106779765
1-[(2,5-dimethylphenyl)methyl]-5-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106777920
1-(difluoromethyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 84723493
5-methoxy-1-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 107054750
1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 141227278
1-(2-ethoxyethyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline
CID 150484308
7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline
CID 83887769
8-methoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline
CID 67538348
1-(3-chloro-1-benzothiophen-2-yl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 71115940
5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113436812
1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline
CID 20976200
1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
CID 10684798

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-methoxy-1-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline (CID 106781714) is 5-methoxy-1-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-methoxy-1-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-methoxy-1-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline is COCCCC1NCCc2c(OC)cccc21.
What is the InChIKey of 5-methoxy-1-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is PFHGLFHOWLXIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-10-4-6-13-11-5-3-7-14(17-2)12(11)8-9-15-13/h3,5,7,13,15H,4,6,8-10H2,1-2H3.
What are the key properties of 5-methoxy-1-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline?
5-methoxy-1-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 235.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106781714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).