2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine

C11H15FN2 — CID 80695773

IUPAC2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1cccc2c1CCN(CCF)C2
InChIInChI=1S/C11H15FN2/c12-5-7-14-6-4-10-9(8-14)2-1-3-11(10)13/h1-3H,4-8,13H2
InChIKeyTYKIMTGGNJLCJT-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.60
Rot. Bonds2

About 2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine

2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 80695773) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID80695773
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1cccc2c1CCN(CCF)C2
InChIInChI=1S/C11H15FN2/c12-5-7-14-6-4-10-9(8-14)2-1-3-11(10)13/h1-3H,4-8,13H2
InChIKeyTYKIMTGGNJLCJT-UHFFFAOYSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine (CID 80695773) is 2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine is Nc1cccc2c1CCN(CCF)C2.
What is the InChIKey of 2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is TYKIMTGGNJLCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c12-5-7-14-6-4-10-9(8-14)2-1-3-11(10)13/h1-3H,4-8,13H2.
What are the key properties of 2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine?
2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 194.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 80695773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).