5-ethoxy-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline

C18H21NO — CID 64689195

IUPAC5-ethoxy-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1cccc2c1C(C)C(c1ccccc1)NC2
InChIInChI=1S/C18H21NO/c1-3-20-16-11-7-10-15-12-19-18(13(2)17(15)16)14-8-5-4-6-9-14/h4-11,13,18-19H,3,12H2,1-2H3
InChIKeyQJPDIDIHOOQPMF-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.03
Rot. Bonds3

About 5-ethoxy-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline

5-ethoxy-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64689195) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-ethoxy-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-ethoxy-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID64689195
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name5-ethoxy-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1cccc2c1C(C)C(c1ccccc1)NC2
InChIInChI=1S/C18H21NO/c1-3-20-16-11-7-10-15-12-19-18(13(2)17(15)16)14-8-5-4-6-9-14/h4-11,13,18-19H,3,12H2,1-2H3
InChIKeyQJPDIDIHOOQPMF-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-ethoxy-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline (CID 64689195) is 5-ethoxy-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-ethoxy-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-ethoxy-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline is CCOc1cccc2c1C(C)C(c1ccccc1)NC2.
What is the InChIKey of 5-ethoxy-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QJPDIDIHOOQPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-20-16-11-7-10-15-12-19-18(13(2)17(15)16)14-8-5-4-6-9-14/h4-11,13,18-19H,3,12H2,1-2H3.
What are the key properties of 5-ethoxy-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline?
5-ethoxy-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 267.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64689195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).