6-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline

C19H23NO2 — CID 71458942

IUPAC6-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(CCN2CCc3cc(OC)ccc3C2)cc1
InChIInChI=1S/C19H23NO2/c1-21-18-6-3-15(4-7-18)9-11-20-12-10-16-13-19(22-2)8-5-17(16)14-20/h3-8,13H,9-12,14H2,1-2H3
InChIKeyYDMQLMAEKUSCKI-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.30
Rot. Bonds5

About 6-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline

6-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 71458942) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 6-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline
PubChem CID71458942
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name6-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(CCN2CCc3cc(OC)ccc3C2)cc1
InChIInChI=1S/C19H23NO2/c1-21-18-6-3-15(4-7-18)9-11-20-12-10-16-13-19(22-2)8-5-17(16)14-20/h3-8,13H,9-12,14H2,1-2H3
InChIKeyYDMQLMAEKUSCKI-UHFFFAOYSA-N
XLogP3.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(-)-Tetrahydropalmatine
CID 72301
Laudanosine
CID 73397
Reticuline
CID 439653
(+-)-Laudanosine
CID 15548
6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline
CID 27694
6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline
CID 15623
Rotundine
CID 5417
Laudanine
CID 92732
(+)-Corydaline
CID 101301
Erysotrine
CID 442219
6-Methoxy-1,2,3,4-tetrahydroisoquinoline
CID 39356
1-((3-Hydroxy-4-methoxyphenyl)methyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 10233

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline (CID 71458942) is 6-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline is COc1ccc(CCN2CCc3cc(OC)ccc3C2)cc1.
What is the InChIKey of 6-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is YDMQLMAEKUSCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-21-18-6-3-15(4-7-18)9-11-20-12-10-16-13-19(22-2)8-5-17(16)14-20/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 6-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline?
6-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 297.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 71458942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).