(1R)-1-[5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine

C17H20FN3 — CID 63778940

IUPAC(1R)-1-[5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1cc(F)ccc1N1CCN(C)c2ccccc21
InChIInChI=1S/C17H20FN3/c1-12(19)14-11-13(18)7-8-15(14)21-10-9-20(2)16-5-3-4-6-17(16)21/h3-8,11-12H,9-10,19H2,1-2H3/t12-/m1/s1
InChIKeyVUKJPPVDGMYLNN-GFCCVEGCSA-N
MW285.37 g/mol
LogP3.43
Rot. Bonds2

About (1R)-1-[5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine

(1R)-1-[5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine (PubChem CID 63778940) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine
PubChem CID63778940
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name(1R)-1-[5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1cc(F)ccc1N1CCN(C)c2ccccc21
InChIInChI=1S/C17H20FN3/c1-12(19)14-11-13(18)7-8-15(14)21-10-9-20(2)16-5-3-4-6-17(16)21/h3-8,11-12H,9-10,19H2,1-2H3/t12-/m1/s1
InChIKeyVUKJPPVDGMYLNN-GFCCVEGCSA-N
XLogP3.43
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(chloromethyl)-4-fluorophenyl]-4-methyl-2,3-dihydroquinoxaline
CID 63778948
5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide
CID 63776757
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
(1S)-1-[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 78944403
2,4-difluoro-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline
CID 115507010
N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine
CID 63778753
(1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 104937427
2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol
CID 43592142
3-bromo-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline
CID 55236725
3-iodo-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline
CID 66092951
1-[2-(1-aminoethyl)-4-fluorophenyl]pyrrolidine-3,4-diol
CID 106669964
(1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine
CID 63368739

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine (CID 63778940) is (1R)-1-[5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine is C[C@@H](N)c1cc(F)ccc1N1CCN(C)c2ccccc21.
What is the InChIKey of (1R)-1-[5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine?
The InChIKey is VUKJPPVDGMYLNN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20FN3/c1-12(19)14-11-13(18)7-8-15(14)21-10-9-20(2)16-5-3-4-6-17(16)21/h3-8,11-12H,9-10,19H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine?
(1R)-1-[5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine has a molecular weight of 285.37 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63778940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).