2-(2-aminoethyl)-6-fluoro-3,4-dihydroisoquinolin-1-one

C11H13FN2O — CID 82279729

IUPAC2-(2-aminoethyl)-6-fluoro-3,4-dihydroisoquinolin-1-one
SMILESNCCN1CCc2cc(F)ccc2C1=O
InChIInChI=1S/C11H13FN2O/c12-9-1-2-10-8(7-9)3-5-14(6-4-13)11(10)15/h1-2,7H,3-6,13H2
InChIKeyNIENGDCSFUJDGA-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.78
Rot. Bonds2

About 2-(2-aminoethyl)-6-fluoro-3,4-dihydroisoquinolin-1-one

2-(2-aminoethyl)-6-fluoro-3,4-dihydroisoquinolin-1-one (PubChem CID 82279729) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-fluoro-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-fluoro-3,4-dihydroisoquinolin-1-one
PubChem CID82279729
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name2-(2-aminoethyl)-6-fluoro-3,4-dihydroisoquinolin-1-one
SMILESNCCN1CCc2cc(F)ccc2C1=O
InChIInChI=1S/C11H13FN2O/c12-9-1-2-10-8(7-9)3-5-14(6-4-13)11(10)15/h1-2,7H,3-6,13H2
InChIKeyNIENGDCSFUJDGA-UHFFFAOYSA-N
XLogP0.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-7-tert-butyl-3,4-dihydroisoquinolin-1-one
CID 82130739
2-(7-fluoro-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl)acetic acid
CID 115041933
2-(2-aminoethyl)-7-phenyl-3,4-dihydroisoquinolin-1-one
CID 82487041
6-(2-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 165177849
6-hydroxy-2-(2-hydroxyethyl)-3,4-dihydroisoquinolin-1-one
CID 115025100
2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one
CID 82279753
tert-butyl N-[(2S)-1-fluoro-3-(6-fluoro-1-oxo-3,4-dihydroisoquinolin-2-yl)propan-2-yl]carbamate
CID 170603919
2-[(2,5-difluorophenyl)methyl]-7-iodo-3,4-dihydroisoquinolin-1-one
CID 79781440
6-bromo-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one;ethane
CID 143778307
6-phenyl-2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one
CID 165177850
1-(2-aminoethyl)-6-fluoro-4H-3,1-benzoxazin-2-one
CID 117272948
6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-propyl-3,4-dihydroisoquinolin-1-one;hydrochloride
CID 159076818

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-fluoro-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-(2-aminoethyl)-6-fluoro-3,4-dihydroisoquinolin-1-one (CID 82279729) is 2-(2-aminoethyl)-6-fluoro-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-(2-aminoethyl)-6-fluoro-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-(2-aminoethyl)-6-fluoro-3,4-dihydroisoquinolin-1-one is NCCN1CCc2cc(F)ccc2C1=O.
What is the InChIKey of 2-(2-aminoethyl)-6-fluoro-3,4-dihydroisoquinolin-1-one?
The InChIKey is NIENGDCSFUJDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-9-1-2-10-8(7-9)3-5-14(6-4-13)11(10)15/h1-2,7H,3-6,13H2.
What are the key properties of 2-(2-aminoethyl)-6-fluoro-3,4-dihydroisoquinolin-1-one?
2-(2-aminoethyl)-6-fluoro-3,4-dihydroisoquinolin-1-one has a molecular weight of 208.24 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-fluoro-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 82279729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).