[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]-diethylazanium

C15H26N2O2+2 — CID 9169728

IUPAC[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]-diethylazanium
SMILESCC[NH+](CC)[C@H]1C[NH2+]Cc2cc(OC)c(OC)cc21
InChIInChI=1S/C15H24N2O2/c1-5-17(6-2)13-10-16-9-11-7-14(18-3)15(19-4)8-12(11)13/h7-8,13,16H,5-6,9-10H2,1-4H3/p+2/t13-/m0/s1
InChIKeyRPMQMJFKRMRSAD-ZDUSSCGKSA-P
MW266.38 g/mol
LogP-0.25
Rot. Bonds5

About [(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]-diethylazanium

[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]-diethylazanium (PubChem CID 9169728) has the molecular formula C15H26N2O2+2 and a molecular weight of 266.38 g/mol. Its IUPAC name is [(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]-diethylazanium.

Molecular Properties

Compound Name[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]-diethylazanium
PubChem CID9169728
Molecular FormulaC15H26N2O2+2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]-diethylazanium
SMILESCC[NH+](CC)[C@H]1C[NH2+]Cc2cc(OC)c(OC)cc21
InChIInChI=1S/C15H24N2O2/c1-5-17(6-2)13-10-16-9-11-7-14(18-3)15(19-4)8-12(11)13/h7-8,13,16H,5-6,9-10H2,1-4H3/p+2/t13-/m0/s1
InChIKeyRPMQMJFKRMRSAD-ZDUSSCGKSA-P
XLogP-0.25
TPSA39.51 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]-diethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dipropyl-[(4R)-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]azanium
CID 9170005
[(4R)-7-ethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]-dipropylazanium
CID 9169655
7-(iodomethyl)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene
CID 46849743
5,6-dimethoxy-1,3-dihydro-2-benzothiophene
CID 14985069
(7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene
CID 147197844
6,7-dimethoxyspiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-amine
CID 82277958
(1S)-1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 12665035
(4R)-5,6,7-trimethoxy-4-(4-propylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 9169968
(4S)-5,6,7-trimethoxy-4-(4-propylpiperazine-1,4-diium-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 9169966
5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol
CID 71395890
(4S)-6,7-dimethoxy-4-methyl-3,4-dihydro-1H-naphthalen-2-one
CID 129406280
1-[(7R)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N,N-dimethylmethanamine
CID 175747114

Frequently Asked Questions

What is the IUPAC name of [(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]-diethylazanium?
The IUPAC name of [(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]-diethylazanium (CID 9169728) is [(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]-diethylazanium.
What is the SMILES notation for [(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]-diethylazanium?
The canonical SMILES for [(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]-diethylazanium is CC[NH+](CC)[C@H]1C[NH2+]Cc2cc(OC)c(OC)cc21.
What is the InChIKey of [(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]-diethylazanium?
The InChIKey is RPMQMJFKRMRSAD-ZDUSSCGKSA-P. The full InChI is InChI=1S/C15H24N2O2/c1-5-17(6-2)13-10-16-9-11-7-14(18-3)15(19-4)8-12(11)13/h7-8,13,16H,5-6,9-10H2,1-4H3/p+2/t13-/m0/s1.
What are the key properties of [(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]-diethylazanium?
[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]-diethylazanium has a molecular weight of 266.38 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-4-yl]-diethylazanium is sourced from PubChem (CID 9169728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).