2-ethyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline;yttrium

C18H20NY- — CID 59396688

IUPAC2-ethyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline;yttrium
SMILES[CH2-]CN1CCc2ccccc2C1c1ccc(C)cc1.[Y]
InChIInChI=1S/C18H20N.Y/c1-3-19-13-12-15-6-4-5-7-17(15)18(19)16-10-8-14(2)9-11-16;/h4-11,18H,1,3,12-13H2,2H3;/q-1;
InChIKeyYVPASPUDYSWUPB-UHFFFAOYSA-N
MW339.27 g/mol
LogP3.77
Rot. Bonds2

About 2-ethyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline;yttrium

2-ethyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline;yttrium (PubChem CID 59396688) has the molecular formula C18H20NY- and a molecular weight of 339.27 g/mol. Its IUPAC name is 2-ethyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline;yttrium.

Molecular Properties

Compound Name2-ethyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline;yttrium
PubChem CID59396688
Molecular FormulaC18H20NY-
Molecular Weight339.27 g/mol
Exact Mass339.07
IUPAC Name2-ethyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline;yttrium
SMILES[CH2-]CN1CCc2ccccc2C1c1ccc(C)cc1.[Y]
InChIInChI=1S/C18H20N.Y/c1-3-19-13-12-15-6-4-5-7-17(15)18(19)16-10-8-14(2)9-11-16;/h4-11,18H,1,3,12-13H2,2H3;/q-1;
InChIKeyYVPASPUDYSWUPB-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline;yttrium?
The IUPAC name of 2-ethyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline;yttrium (CID 59396688) is 2-ethyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline;yttrium.
What is the SMILES notation for 2-ethyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline;yttrium?
The canonical SMILES for 2-ethyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline;yttrium is [CH2-]CN1CCc2ccccc2C1c1ccc(C)cc1.[Y].
What is the InChIKey of 2-ethyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline;yttrium?
The InChIKey is YVPASPUDYSWUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N.Y/c1-3-19-13-12-15-6-4-5-7-17(15)18(19)16-10-8-14(2)9-11-16;/h4-11,18H,1,3,12-13H2,2H3;/q-1;.
What are the key properties of 2-ethyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline;yttrium?
2-ethyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline;yttrium has a molecular weight of 339.27 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline;yttrium is sourced from PubChem (CID 59396688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).