3-benzyl-5-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline

C18H21NO — CID 64687411

IUPAC3-benzyl-5-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc2c1C(C)C(Cc1ccccc1)NC2
InChIInChI=1S/C18H21NO/c1-13-16(11-14-7-4-3-5-8-14)19-12-15-9-6-10-17(20-2)18(13)15/h3-10,13,16,19H,11-12H2,1-2H3
InChIKeyJOSBGPYQGCPSLR-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.51
Rot. Bonds3

About 3-benzyl-5-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline

3-benzyl-5-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64687411) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-benzyl-5-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-benzyl-5-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID64687411
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-benzyl-5-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc2c1C(C)C(Cc1ccccc1)NC2
InChIInChI=1S/C18H21NO/c1-13-16(11-14-7-4-3-5-8-14)19-12-15-9-6-10-17(20-2)18(13)15/h3-10,13,16,19H,11-12H2,1-2H3
InChIKeyJOSBGPYQGCPSLR-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-benzyl-5-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline (CID 64687411) is 3-benzyl-5-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-benzyl-5-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-benzyl-5-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline is COc1cccc2c1C(C)C(Cc1ccccc1)NC2.
What is the InChIKey of 3-benzyl-5-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JOSBGPYQGCPSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-16(11-14-7-4-3-5-8-14)19-12-15-9-6-10-17(20-2)18(13)15/h3-10,13,16,19H,11-12H2,1-2H3.
What are the key properties of 3-benzyl-5-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline?
3-benzyl-5-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 267.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64687411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).