2-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanol

C15H23NO2 — CID 111439749

IUPAC2-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanol
SMILESCCC1c2ccccc2CCN1CCOCCO
InChIInChI=1S/C15H23NO2/c1-2-15-14-6-4-3-5-13(14)7-8-16(15)9-11-18-12-10-17/h3-6,15,17H,2,7-12H2,1H3
InChIKeyOYWTZACHOQUYSQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.00
Rot. Bonds6

About 2-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanol

2-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanol (PubChem CID 111439749) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanol
PubChem CID111439749
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanol
SMILESCCC1c2ccccc2CCN1CCOCCO
InChIInChI=1S/C15H23NO2/c1-2-15-14-6-4-3-5-13(14)7-8-16(15)9-11-18-12-10-17/h3-6,15,17H,2,7-12H2,1H3
InChIKeyOYWTZACHOQUYSQ-UHFFFAOYSA-N
XLogP2.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanol with MolForge

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Related Compounds

3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
CID 97317221
(2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol
CID 95627839
[2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 63949433
[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol
CID 139381518
4-[3-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]benzonitrile
CID 86952146
1-[(4-methoxyphenyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline
CID 71396455
methyl 4-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]benzoate
CID 97027147
2-[2-(7-methyl-2,3-dihydroindol-1-yl)ethoxy]ethanol
CID 111439547
(1R)-1-ethyl-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 96549151
(1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 129266150
(1S)-2-[(1-tert-butyltetrazol-5-yl)methyl]-1-ethyl-3,4-dihydro-1H-isoquinoline
CID 99784617
cyclopent-3-en-1-yl-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 71930116

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanol (CID 111439749) is 2-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanol is CCC1c2ccccc2CCN1CCOCCO.
What is the InChIKey of 2-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanol?
The InChIKey is OYWTZACHOQUYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-15-14-6-4-3-5-13(14)7-8-16(15)9-11-18-12-10-17/h3-6,15,17H,2,7-12H2,1H3.
What are the key properties of 2-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanol?
2-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanol has a molecular weight of 249.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanol is sourced from PubChem (CID 111439749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).