2-(2-ethoxyethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline

C19H23NO — CID 14548156

IUPAC2-(2-ethoxyethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCCOCCN1CCc2ccccc2C1c1ccccc1
InChIInChI=1S/C19H23NO/c1-2-21-15-14-20-13-12-16-8-6-7-11-18(16)19(20)17-9-4-3-5-10-17/h3-11,19H,2,12-15H2,1H3
InChIKeyJDXXDZMZEZAOSU-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.67
Rot. Bonds5

About 2-(2-ethoxyethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline

2-(2-ethoxyethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 14548156) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID14548156
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-(2-ethoxyethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCCOCCN1CCc2ccccc2C1c1ccccc1
InChIInChI=1S/C19H23NO/c1-2-21-15-14-20-13-12-16-8-6-7-11-18(16)19(20)17-9-4-3-5-10-17/h3-11,19H,2,12-15H2,1H3
InChIKeyJDXXDZMZEZAOSU-UHFFFAOYSA-N
XLogP3.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(2-ethoxyethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline (CID 14548156) is 2-(2-ethoxyethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(2-ethoxyethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(2-ethoxyethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline is CCOCCN1CCc2ccccc2C1c1ccccc1.
What is the InChIKey of 2-(2-ethoxyethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is JDXXDZMZEZAOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-21-15-14-20-13-12-16-8-6-7-11-18(16)19(20)17-9-4-3-5-10-17/h3-11,19H,2,12-15H2,1H3.
What are the key properties of 2-(2-ethoxyethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline?
2-(2-ethoxyethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 281.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 14548156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).