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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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).