1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine

C17H19FN2 — CID 43188883

IUPAC1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine
SMILESCC(N)c1c(F)cccc1N1CCCc2ccccc21
InChIInChI=1S/C17H19FN2/c1-12(19)17-14(18)8-4-10-16(17)20-11-5-7-13-6-2-3-9-15(13)20/h2-4,6,8-10,12H,5,7,11,19H2,1H3
InChIKeyXCOSPWRPHJHPLZ-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.93
Rot. Bonds2

About 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine

1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine (PubChem CID 43188883) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine
PubChem CID43188883
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine
SMILESCC(N)c1c(F)cccc1N1CCCc2ccccc21
InChIInChI=1S/C17H19FN2/c1-12(19)17-14(18)8-4-10-16(17)20-11-5-7-13-6-2-3-9-15(13)20/h2-4,6,8-10,12H,5,7,11,19H2,1H3
InChIKeyXCOSPWRPHJHPLZ-UHFFFAOYSA-N
XLogP3.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496718
1-[2-fluoro-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63532709
(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine
CID 78935636
(1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine
CID 79009222
(1S)-1-[2-fluoro-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 78930955
1-[2-fluoro-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 43101076
(1R)-1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol
CID 55182824
1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine
CID 61432786
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-6-fluorophenyl]ethanamine
CID 102726773
(1S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-6-fluorophenyl]ethanamine
CID 63369049
(1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine
CID 63368928
(1S)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-3-pyridinyl]ethanamine
CID 124502674

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine?
The IUPAC name of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine (CID 43188883) is 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine is CC(N)c1c(F)cccc1N1CCCc2ccccc21.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine?
The InChIKey is XCOSPWRPHJHPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-12(19)17-14(18)8-4-10-16(17)20-11-5-7-13-6-2-3-9-15(13)20/h2-4,6,8-10,12H,5,7,11,19H2,1H3.
What are the key properties of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine?
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine has a molecular weight of 270.35 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 43188883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).