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

C19H23NO3 — CID 22643314

IUPAC6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc(CC2NCCc3cc(OC)c(OC)cc32)c1
InChIInChI=1S/C19H23NO3/c1-21-15-6-4-5-13(9-15)10-17-16-12-19(23-3)18(22-2)11-14(16)7-8-20-17/h4-6,9,11-12,17,20H,7-8,10H2,1-3H3
InChIKeyNRJCAOCPBSXOGP-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.14
Rot. Bonds5

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

6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 22643314) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID22643314
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc(CC2NCCc3cc(OC)c(OC)cc32)c1
InChIInChI=1S/C19H23NO3/c1-21-15-6-4-5-13(9-15)10-17-16-12-19(23-3)18(22-2)11-14(16)7-8-20-17/h4-6,9,11-12,17,20H,7-8,10H2,1-3H3
InChIKeyNRJCAOCPBSXOGP-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 7157325
(1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 10969027
(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 688594
7-ethoxy-6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 166067832
5-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 2752280
1-[(2,5-dimethoxyphenyl)methyl]-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 90073381
1-[(2-bromo-5-methoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 14116524
6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 143954648
6,7-dimethoxy-1-[[3-[6-(2-methylpiperidin-1-yl)hexoxy]phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 90659772
(1R)-7-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 7055406
6,7-diethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 166067834
(7S)-7-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 129391976

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 22643314) is 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is COc1cccc(CC2NCCc3cc(OC)c(OC)cc32)c1.
What is the InChIKey of 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NRJCAOCPBSXOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-21-15-6-4-5-13(9-15)10-17-16-12-19(23-3)18(22-2)11-14(16)7-8-20-17/h4-6,9,11-12,17,20H,7-8,10H2,1-3H3.
What are the key properties of 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 313.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 22643314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).