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

C13H20N2O — CID 39244545

IUPAC2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanamine
SMILESNCCOCCN1CCc2ccccc2C1
InChIInChI=1S/C13H20N2O/c14-6-9-16-10-8-15-7-5-12-3-1-2-4-13(12)11-15/h1-4H,5-11,14H2
InChIKeyYYOBBUVEYJOYTF-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.02
Rot. Bonds5

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

2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanamine (PubChem CID 39244545) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanamine
PubChem CID39244545
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanamine
SMILESNCCOCCN1CCc2ccccc2C1
InChIInChI=1S/C13H20N2O/c14-6-9-16-10-8-15-7-5-12-3-1-2-4-13(12)11-15/h1-4H,5-11,14H2
InChIKeyYYOBBUVEYJOYTF-UHFFFAOYSA-N
XLogP1.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-amine;hydrochloride
CID 68962885
2-(2-decoxyethyl)-3,4-dihydro-1H-isoquinoline
CID 133083999
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
2-[3-(2,2,3,3,4,4,4-heptafluorobutoxy)propyl]-3,4-dihydro-1H-isoquinoline
CID 90718439
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 82092299
2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine
CID 157014112
2-(6-chlorohexyl)-3,4-dihydro-1H-isoquinoline
CID 62227824
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]aniline
CID 28721045
[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropyl]methanamine
CID 84793998
3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl sulfite
CID 174785243

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanamine (CID 39244545) is 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanamine is NCCOCCN1CCc2ccccc2C1.
What is the InChIKey of 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanamine?
The InChIKey is YYOBBUVEYJOYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-6-9-16-10-8-15-7-5-12-3-1-2-4-13(12)11-15/h1-4H,5-11,14H2.
What are the key properties of 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanamine?
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanamine is sourced from PubChem (CID 39244545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).