2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethyl acetate

C19H19NO2 — CID 20500934

IUPAC2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethyl acetate
SMILESCC(=O)OCCC1Cc2ccccc2C(c2ccccc2)=N1
InChIInChI=1S/C19H19NO2/c1-14(21)22-12-11-17-13-16-9-5-6-10-18(16)19(20-17)15-7-3-2-4-8-15/h2-10,17H,11-13H2,1H3
InChIKeyFTJDZQYJGSHZIO-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.40
Rot. Bonds4

About 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethyl acetate

2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethyl acetate (PubChem CID 20500934) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethyl acetate.

Molecular Properties

Compound Name2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethyl acetate
PubChem CID20500934
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethyl acetate
SMILESCC(=O)OCCC1Cc2ccccc2C(c2ccccc2)=N1
InChIInChI=1S/C19H19NO2/c1-14(21)22-12-11-17-13-16-9-5-6-10-18(16)19(20-17)15-7-3-2-4-8-15/h2-10,17H,11-13H2,1H3
InChIKeyFTJDZQYJGSHZIO-UHFFFAOYSA-N
XLogP3.40
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethyl acetate?
The IUPAC name of 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethyl acetate (CID 20500934) is 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethyl acetate.
What is the SMILES notation for 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethyl acetate?
The canonical SMILES for 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethyl acetate is CC(=O)OCCC1Cc2ccccc2C(c2ccccc2)=N1.
What is the InChIKey of 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethyl acetate?
The InChIKey is FTJDZQYJGSHZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-14(21)22-12-11-17-13-16-9-5-6-10-18(16)19(20-17)15-7-3-2-4-8-15/h2-10,17H,11-13H2,1H3.
What are the key properties of 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethyl acetate?
2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethyl acetate has a molecular weight of 293.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethyl acetate is sourced from PubChem (CID 20500934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).