(1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline

C14H21NO2 — CID 7157327

IUPAC(1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1cc2c(cc1OCC)[C@H](C)NCC2
InChIInChI=1S/C14H21NO2/c1-4-16-13-8-11-6-7-15-10(3)12(11)9-14(13)17-5-2/h8-10,15H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyWZKQNIZMVKPAPR-JTQLQIEISA-N
MW235.33 g/mol
LogP2.69
Rot. Bonds4

About (1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline

(1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 7157327) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID7157327
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1cc2c(cc1OCC)[C@H](C)NCC2
InChIInChI=1S/C14H21NO2/c1-4-16-13-8-11-6-7-15-10(3)12(11)9-14(13)17-5-2/h8-10,15H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyWZKQNIZMVKPAPR-JTQLQIEISA-N
XLogP2.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

(1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 672733
(1R)-6,7-diethoxy-1-(4-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 672677
2-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetonitrile
CID 7157147
1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3013964
2-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]phenol
CID 674048
6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 90485238
7-ethoxy-6-methoxy-1-(2,4,5-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 5135970
(1S)-1-(3,4-dimethylphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 672749
6-ethoxy-1-(4-ethoxy-3-methoxyphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 4318685
1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3351200
methyl 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
CID 46274582
(1S)-1-(3,4-dimethoxyphenyl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 729177

Frequently Asked Questions

What is the IUPAC name of (1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline (CID 7157327) is (1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline is CCOc1cc2c(cc1OCC)[C@H](C)NCC2.
What is the InChIKey of (1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is WZKQNIZMVKPAPR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-16-13-8-11-6-7-15-10(3)12(11)9-14(13)17-5-2/h8-10,15H,4-7H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline?
(1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 235.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 7157327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).