6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

C19H23NO3 — CID 20566245

IUPAC6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc(CC2Cc3cc(OC)c(OC)cc3CN2)c1
InChIInChI=1S/C19H23NO3/c1-21-17-6-4-5-13(8-17)7-16-9-14-10-18(22-2)19(23-3)11-15(14)12-20-16/h4-6,8,10-11,16,20H,7,9,12H2,1-3H3
InChIKeyGTUSUPLKXLAPML-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.97
Rot. Bonds5

About 6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 20566245) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID20566245
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc(CC2Cc3cc(OC)c(OC)cc3CN2)c1
InChIInChI=1S/C19H23NO3/c1-21-17-6-4-5-13(8-17)7-16-9-14-10-18(22-2)19(23-3)11-15(14)12-20-16/h4-6,8,10-11,16,20H,7,9,12H2,1-3H3
InChIKeyGTUSUPLKXLAPML-UHFFFAOYSA-N
XLogP2.97
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 39345525
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 22643314
3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375759
3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydrofuro[3,4-b]pyrazine
CID 82377070
2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidine
CID 106778535
2-(methoxymethyl)-4-[(3-methoxyphenyl)methyl]pyrrolidine
CID 117270683
[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
CID 81011141
1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine
CID 105476247
(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
(7S)-7-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 129391976
1-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110635946
7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 15296734

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 20566245) is 6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is COc1cccc(CC2Cc3cc(OC)c(OC)cc3CN2)c1.
What is the InChIKey of 6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is GTUSUPLKXLAPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-21-17-6-4-5-13(8-17)7-16-9-14-10-18(22-2)19(23-3)11-15(14)12-20-16/h4-6,8,10-11,16,20H,7,9,12H2,1-3H3.
What are the key properties of 6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 313.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 20566245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).