2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxolan-3-yl)ethanamine

C15H22N2O — CID 16783449

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxolan-3-yl)ethanamine
SMILESNCC(C1CCOC1)N1CCc2ccccc2C1
InChIInChI=1S/C15H22N2O/c16-9-15(14-6-8-18-11-14)17-7-5-12-3-1-2-4-13(12)10-17/h1-4,14-15H,5-11,16H2
InChIKeyLLHQSZPLPRASON-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.41
Rot. Bonds3

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxolan-3-yl)ethanamine

2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxolan-3-yl)ethanamine (PubChem CID 16783449) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxolan-3-yl)ethanamine
PubChem CID16783449
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxolan-3-yl)ethanamine
SMILESNCC(C1CCOC1)N1CCc2ccccc2C1
InChIInChI=1S/C15H22N2O/c16-9-15(14-6-8-18-11-14)17-7-5-12-3-1-2-4-13(12)10-17/h1-4,14-15H,5-11,16H2
InChIKeyLLHQSZPLPRASON-UHFFFAOYSA-N
XLogP1.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxolan-3-yl)ethanamine (CID 16783449) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxolan-3-yl)ethanamine is NCC(C1CCOC1)N1CCc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxolan-3-yl)ethanamine?
The InChIKey is LLHQSZPLPRASON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-9-15(14-6-8-18-11-14)17-7-5-12-3-1-2-4-13(12)10-17/h1-4,14-15H,5-11,16H2.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxolan-3-yl)ethanamine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxolan-3-yl)ethanamine has a molecular weight of 246.35 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 16783449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).