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

C17H17NO — CID 15047391

IUPAC3-ethoxy-1-phenyl-1,4-dihydroisoquinoline
SMILESCCOC1=NC(c2ccccc2)c2ccccc2C1
InChIInChI=1S/C17H17NO/c1-2-19-16-12-14-10-6-7-11-15(14)17(18-16)13-8-4-3-5-9-13/h3-11,17H,2,12H2,1H3
InChIKeyVBKDMBDXIMRGGH-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.77
Rot. Bonds2

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

3-ethoxy-1-phenyl-1,4-dihydroisoquinoline (PubChem CID 15047391) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-ethoxy-1-phenyl-1,4-dihydroisoquinoline.

Molecular Properties

Compound Name3-ethoxy-1-phenyl-1,4-dihydroisoquinoline
PubChem CID15047391
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name3-ethoxy-1-phenyl-1,4-dihydroisoquinoline
SMILESCCOC1=NC(c2ccccc2)c2ccccc2C1
InChIInChI=1S/C17H17NO/c1-2-19-16-12-14-10-6-7-11-15(14)17(18-16)13-8-4-3-5-9-13/h3-11,17H,2,12H2,1H3
InChIKeyVBKDMBDXIMRGGH-UHFFFAOYSA-N
XLogP3.77
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-Ethoxy-4-methyl-1H-isoquinolin-4-yl)methanol
CID 15047393
4-benzyl-3-ethoxy-1-phenyl-1H-2-benzazepine
CID 15047408
(4S,4'S)-2,2'-Propylidenebis[4,5-dihydro-4-phenyloxazole]
CID 56982768
6-Methoxy-2-phenyl-2,3,4,5-tetrahydropyridine
CID 101728541
3-Ethoxy-1,4-dihydroisoquinoline
CID 15047390
(4R)-4-phenyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 57815569
(2R)-2-phenyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile
CID 10934710
2-cyclohexyl-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine
CID 11054383
(1S,2S)-1,2-Bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)cyclohexane
CID 11372252
(s)-2,4-Dibenzyloxazoline
CID 13049262
1-cyclohexyl-N-[(1R)-2-methoxy-1-phenylethyl]methanimine
CID 13326158
(4R)-2-(2-methyl-2-phenylpropyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 101809608

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-phenyl-1,4-dihydroisoquinoline?
The IUPAC name of 3-ethoxy-1-phenyl-1,4-dihydroisoquinoline (CID 15047391) is 3-ethoxy-1-phenyl-1,4-dihydroisoquinoline.
What is the SMILES notation for 3-ethoxy-1-phenyl-1,4-dihydroisoquinoline?
The canonical SMILES for 3-ethoxy-1-phenyl-1,4-dihydroisoquinoline is CCOC1=NC(c2ccccc2)c2ccccc2C1.
What is the InChIKey of 3-ethoxy-1-phenyl-1,4-dihydroisoquinoline?
The InChIKey is VBKDMBDXIMRGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-19-16-12-14-10-6-7-11-15(14)17(18-16)13-8-4-3-5-9-13/h3-11,17H,2,12H2,1H3.
What are the key properties of 3-ethoxy-1-phenyl-1,4-dihydroisoquinoline?
3-ethoxy-1-phenyl-1,4-dihydroisoquinoline has a molecular weight of 251.33 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-phenyl-1,4-dihydroisoquinoline is sourced from PubChem (CID 15047391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).