3-ethoxy-4-methyl-1-phenyl-1,4-dihydroisoquinoline

C18H19NO — CID 10890781

IUPAC3-ethoxy-4-methyl-1-phenyl-1,4-dihydroisoquinoline
SMILESCCOC1=NC(c2ccccc2)c2ccccc2C1C
InChIInChI=1S/C18H19NO/c1-3-20-18-13(2)15-11-7-8-12-16(15)17(19-18)14-9-5-4-6-10-14/h4-13,17H,3H2,1-2H3
InChIKeyLQSIUJNVHPMJFV-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.33
Rot. Bonds2

About 3-ethoxy-4-methyl-1-phenyl-1,4-dihydroisoquinoline

3-ethoxy-4-methyl-1-phenyl-1,4-dihydroisoquinoline (PubChem CID 10890781) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-ethoxy-4-methyl-1-phenyl-1,4-dihydroisoquinoline.

Molecular Properties

Compound Name3-ethoxy-4-methyl-1-phenyl-1,4-dihydroisoquinoline
PubChem CID10890781
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-ethoxy-4-methyl-1-phenyl-1,4-dihydroisoquinoline
SMILESCCOC1=NC(c2ccccc2)c2ccccc2C1C
InChIInChI=1S/C18H19NO/c1-3-20-18-13(2)15-11-7-8-12-16(15)17(19-18)14-9-5-4-6-10-14/h4-13,17H,3H2,1-2H3
InChIKeyLQSIUJNVHPMJFV-UHFFFAOYSA-N
XLogP4.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methyl-1-phenyl-1,4-dihydroisoquinoline?
The IUPAC name of 3-ethoxy-4-methyl-1-phenyl-1,4-dihydroisoquinoline (CID 10890781) is 3-ethoxy-4-methyl-1-phenyl-1,4-dihydroisoquinoline.
What is the SMILES notation for 3-ethoxy-4-methyl-1-phenyl-1,4-dihydroisoquinoline?
The canonical SMILES for 3-ethoxy-4-methyl-1-phenyl-1,4-dihydroisoquinoline is CCOC1=NC(c2ccccc2)c2ccccc2C1C.
What is the InChIKey of 3-ethoxy-4-methyl-1-phenyl-1,4-dihydroisoquinoline?
The InChIKey is LQSIUJNVHPMJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-20-18-13(2)15-11-7-8-12-16(15)17(19-18)14-9-5-4-6-10-14/h4-13,17H,3H2,1-2H3.
What are the key properties of 3-ethoxy-4-methyl-1-phenyl-1,4-dihydroisoquinoline?
3-ethoxy-4-methyl-1-phenyl-1,4-dihydroisoquinoline has a molecular weight of 265.36 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methyl-1-phenyl-1,4-dihydroisoquinoline is sourced from PubChem (CID 10890781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).