7-methoxy-5,8-dimethyl-4-propyl-1,2,3,4-tetrahydroisoquinoline

C15H23NO — CID 82129107

IUPAC7-methoxy-5,8-dimethyl-4-propyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCCC1CNCc2c(C)c(OC)cc(C)c21
InChIInChI=1S/C15H23NO/c1-5-6-12-8-16-9-13-11(3)14(17-4)7-10(2)15(12)13/h7,12,16H,5-6,8-9H2,1-4H3
InChIKeyZAFYDZJLROBWAE-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.30
Rot. Bonds3

About 7-methoxy-5,8-dimethyl-4-propyl-1,2,3,4-tetrahydroisoquinoline

7-methoxy-5,8-dimethyl-4-propyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 82129107) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 7-methoxy-5,8-dimethyl-4-propyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-methoxy-5,8-dimethyl-4-propyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID82129107
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name7-methoxy-5,8-dimethyl-4-propyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCCC1CNCc2c(C)c(OC)cc(C)c21
InChIInChI=1S/C15H23NO/c1-5-6-12-8-16-9-13-11(3)14(17-4)7-10(2)15(12)13/h7,12,16H,5-6,8-9H2,1-4H3
InChIKeyZAFYDZJLROBWAE-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 82131742
2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine
CID 117381769
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
4-ethyl-5,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 82125524
7,8-dimethoxy-3-propyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 83002643
5-(4-methoxy-2,3,6-trimethylphenyl)piperazine-2,3-dione
CID 116856067
5-methoxy-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 82127529
N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]azetidine-3-carboxamide
CID 115158909
(7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene
CID 147197844
5-methoxy-4,7-dimethyl-2,3-dihydro-1H-indole
CID 22506880
2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine
CID 116962291
2-ethyl-1-methoxy-3,4,5-trimethylbenzene
CID 118500678

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5,8-dimethyl-4-propyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-methoxy-5,8-dimethyl-4-propyl-1,2,3,4-tetrahydroisoquinoline (CID 82129107) is 7-methoxy-5,8-dimethyl-4-propyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-methoxy-5,8-dimethyl-4-propyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-methoxy-5,8-dimethyl-4-propyl-1,2,3,4-tetrahydroisoquinoline is CCCC1CNCc2c(C)c(OC)cc(C)c21.
What is the InChIKey of 7-methoxy-5,8-dimethyl-4-propyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ZAFYDZJLROBWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-6-12-8-16-9-13-11(3)14(17-4)7-10(2)15(12)13/h7,12,16H,5-6,8-9H2,1-4H3.
What are the key properties of 7-methoxy-5,8-dimethyl-4-propyl-1,2,3,4-tetrahydroisoquinoline?
7-methoxy-5,8-dimethyl-4-propyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 233.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5,8-dimethyl-4-propyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 82129107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).