6-{[(3S,4S)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine (Q27461250)

SCHEMBL13193737 (English)

6-{[(3R,4R)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine

19 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀FN₃O

1 reference

SCHEMBL13193737 (English)

19 October 2016

canonical SMILES

CC1=CC(=NC(=C1)N)CC2CNCC2OCCCCCC3=CC(=CC=C3)F

1 reference

SCHEMBL13193737 (English)

19 October 2016

isomeric SMILES

CC1=CC(=NC(=C1)N)C[C@H]2CNC[C@H]2OCCCCCC3=CC(=CC=C3)F

1 reference

SCHEMBL13193737 (English)

InChI=1S/C22H30FN3O/c1-16-10-20(26-22(24)11-16)13-18-14-25-15-21(18)27-9-4-2-3-6-17-7-5-8-19(23)12-17/h5,7-8,10-12,18,21,25H,2-4,6,9,13-15H2,1H3,(H2,24,26)/t18-,21+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

SCHEMBL13193737 (English)

AQTALODLFZOZJL-GHTZIAJQSA-N

19 October 2016

InChIKey

1 reference

SCHEMBL13193737 (English)

19 October 2016

1 reference

6-{[(3S,4S)-4-{[5-(3-Fluorophenyl)pentyl]oxy}-3-pyrrolidinyl]methyl}-4-methyl-2-pyridinamine (English)

19 October 2016

2 references

SCHEMBL13193737 (English)

matched by identifier from

19 October 2016

InChIKey

AQTALODLFZOZJL-GHTZIAJQSA-N

1 reference

1 reference

3UFO (English)