2007-72-9
C₁₆H₂₁NO₂·259.340 g/mol·CID 2769826
IUPAC: 1-naphthalen-2-yloxy-3-(propan-2-ylamino)propan-2-ol
Also known as: 1-[(1-methylethyl)amino]-3-(2-naphthalenyloxy)-2-propanol, 1-((1-Methylethyl)amino)-3-(2-naphthalenyloxy)-2-propanol, RefChem:418197, 688-143-0, 1-(ISOPROPYLAMINO)-3-(NAPHTHALEN-2-YLOXY)PROPAN-2-OL (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
259.340g/mol
Exact Mass
259.157229Da
Monoisotopic Mass
259.157229Da
XLogP
3.0
Polar Surface Area
41.5Ų
Complexity
257
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
3
Rotatable Bonds
6
Heavy Atoms
19
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 259.3 g/mol
MW ≤ 500
✓ 3.0
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H302Harmful if swallowedH360May damage fertility or the unborn childH362May cause harm to breast-fed childrenH411Toxic to aquatic life with long lasting effects
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C16H21NO2/c1-12(2)17-10-15(18)11-19-16-8-7-13-5-3-4-6-14(13)9-16/h3-9,12,15,17-18H,10-11H2,1-2H3
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
methyl (1R,2S,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 170832 · 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