5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline

C17H19NO2 — CID 82583404

IUPAC5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(-c2ccc(OC)c3c2CNCC3)cc1
InChIInChI=1S/C17H19NO2/c1-19-13-5-3-12(4-6-13)14-7-8-17(20-2)15-9-10-18-11-16(14)15/h3-8,18H,9-11H2,1-2H3
InChIKeyOFACKUOPCWUMEP-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.02
Rot. Bonds3

About 5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline

5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 82583404) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID82583404
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(-c2ccc(OC)c3c2CNCC3)cc1
InChIInChI=1S/C17H19NO2/c1-19-13-5-3-12(4-6-13)14-7-8-17(20-2)15-9-10-18-11-16(14)15/h3-8,18H,9-11H2,1-2H3
InChIKeyOFACKUOPCWUMEP-UHFFFAOYSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-8-(1-methylpyridin-1-ium-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 69448462
ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145416816
7-methoxy-4-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol
CID 138744900
8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 82582988
2-(4-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737684
2-(4-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742252
1-methoxy-2,4-bis(4-methoxyphenyl)benzene
CID 102598609
N-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 82582832
N,N-dimethyl-4-(5-methyl-1,2,3,4-tetrahydroisoquinolin-8-yl)aniline
CID 82583439
N,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82582986
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 56866430

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline (CID 82583404) is 5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline is COc1ccc(-c2ccc(OC)c3c2CNCC3)cc1.
What is the InChIKey of 5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OFACKUOPCWUMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-19-13-5-3-12(4-6-13)14-7-8-17(20-2)15-9-10-18-11-16(14)15/h3-8,18H,9-11H2,1-2H3.
What are the key properties of 5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 269.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 82583404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).