6-methoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydroisoquinoline

C18H19NO2 — CID 624494

IUPAC6-methoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydroisoquinoline
SMILESCOc1cccc(CC2=NCCc3cc(OC)ccc32)c1
InChIInChI=1S/C18H19NO2/c1-20-15-5-3-4-13(10-15)11-18-17-7-6-16(21-2)12-14(17)8-9-19-18/h3-7,10,12H,8-9,11H2,1-2H3
InChIKeyAYGHDKZSMWSCRL-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.29
Rot. Bonds4

About 6-methoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydroisoquinoline

6-methoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydroisoquinoline (PubChem CID 624494) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-methoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-methoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydroisoquinoline
PubChem CID624494
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name6-methoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydroisoquinoline
SMILESCOc1cccc(CC2=NCCc3cc(OC)ccc32)c1
InChIInChI=1S/C18H19NO2/c1-20-15-5-3-4-13(10-15)11-18-17-7-6-16(21-2)12-14(17)8-9-19-18/h3-7,10,12H,8-9,11H2,1-2H3
InChIKeyAYGHDKZSMWSCRL-UHFFFAOYSA-N
XLogP3.29
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydroisoquinoline?
The IUPAC name of 6-methoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydroisoquinoline (CID 624494) is 6-methoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-methoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydroisoquinoline?
The canonical SMILES for 6-methoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydroisoquinoline is COc1cccc(CC2=NCCc3cc(OC)ccc32)c1.
What is the InChIKey of 6-methoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydroisoquinoline?
The InChIKey is AYGHDKZSMWSCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-20-15-5-3-4-13(10-15)11-18-17-7-6-16(21-2)12-14(17)8-9-19-18/h3-7,10,12H,8-9,11H2,1-2H3.
What are the key properties of 6-methoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydroisoquinoline?
6-methoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydroisoquinoline has a molecular weight of 281.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydroisoquinoline is sourced from PubChem (CID 624494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).