2-deuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol

C16H21NO2 — CID 25143740

IUPAC2-deuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol
SMILES[2H]C(O)(CNC(C)C([2H])([2H])[2H])COc1cccc2ccccc12
InChIInChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/i1D3,14D
InChIKeyAQHHHDLHHXJYJD-CZEVESCESA-N
MW263.37 g/mol
LogP2.58
Rot. Bonds7

About 2-deuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol

2-deuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol (PubChem CID 25143740) has the molecular formula C16H21NO2 and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-deuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-deuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol
PubChem CID25143740
Molecular FormulaC16H21NO2
Molecular Weight263.37 g/mol
Exact Mass263.18
IUPAC Name2-deuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol
SMILES[2H]C(O)(CNC(C)C([2H])([2H])[2H])COc1cccc2ccccc12
InChIInChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/i1D3,14D
InChIKeyAQHHHDLHHXJYJD-CZEVESCESA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,3,3-tetradeuterio-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;1,1,3,3-tetradeuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol;1,1,2-trideuterio-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;1,1,2-trideuterio-3-naphthalen-1-yloxy-1-(propan-2-ylamino)propan-2-ol;1,1,2-trideuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol;1,1,2-trideuterio-3-naphthalen-1-yloxy-1-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol
CID 159097555
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propane-2-thiol
CID 142421207
2-hydroperoxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine;hydrochloride
CID 90469824
(1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride
CID 18529256
CID 158243835
CID 158243835
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
1-[1,1,1,2,3,3,3-heptadeuteriopropan-2-yl-(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 162641225
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 13120361

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol?
The IUPAC name of 2-deuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol (CID 25143740) is 2-deuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 2-deuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol?
The canonical SMILES for 2-deuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol is [2H]C(O)(CNC(C)C([2H])([2H])[2H])COc1cccc2ccccc12.
What is the InChIKey of 2-deuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol?
The InChIKey is AQHHHDLHHXJYJD-CZEVESCESA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/i1D3,14D.
What are the key properties of 2-deuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol?
2-deuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol has a molecular weight of 263.37 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-1-naphthalen-1-yloxy-3-(1,1,1-trideuteriopropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 25143740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).