Troparil
C₁₆H₂₁NO₂·259.340 g/mol·CID 170832
IUPAC: methyl (1R,2S,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Also known as: AH3LC885W8, 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 8-methyl-3-phenyl-, methyl ester, (1R-(exo,exo))-, WIN-35065-2, WIN 35,065-2, (1R-(exo,exo))-8-Methyl-3-phenyl-8-azabicyclo(3.2.1)octane-2-carboxylic acid methyl ester (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
259.340g/mol
Exact Mass
259.157229Da
Monoisotopic Mass
259.157229Da
XLogP
2.6
Polar Surface Area
29.5Ų
Complexity
338
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
3
Rotatable Bonds
3
Heavy Atoms
19
Stereo Centers
4
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 259.3 g/mol
MW ≤ 500
✓ 2.6
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14+,15-/m0/s1
Isomers8 compounds with formula C₁₆H₂₁NO₂
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 4946 · 259.3 g/mol
N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
CID 208902 · 259.3 g/mol
(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 21138 · 259.3 g/mol
(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 91536 · 259.3 g/mol
2-heptyl-3-hydroxy-1H-quinolin-4-one
CID 2763159 · 259.3 g/mol
2-heptyl-1-hydroxyquinolin-4-one
CID 1561 · 259.3 g/mol
N-[2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
CID 9881626 · 259.3 g/mol
1-naphthalen-2-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 2769826 · 259.3 g/mol