sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride

C16H23ClNNaO2 — CID 173252787

IUPACsodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COc1cccc2ccccc12.Cl.[H-].[Na+]
InChIInChI=1S/C16H21NO2.ClH.Na.H/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;1H;;/q;;+1;-1
InChIKeyANJODJZXKKWLJK-UHFFFAOYSA-N
MW319.81 g/mol
LogP0.12
Rot. Bonds6

About sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride

sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 173252787) has the molecular formula C16H23ClNNaO2 and a molecular weight of 319.81 g/mol. Its IUPAC name is sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Namesodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID173252787
Molecular FormulaC16H23ClNNaO2
Molecular Weight319.81 g/mol
Exact Mass319.13
IUPAC Namesodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COc1cccc2ccccc12.Cl.[H-].[Na+]
InChIInChI=1S/C16H21NO2.ClH.Na.H/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;1H;;/q;;+1;-1
InChIKeyANJODJZXKKWLJK-UHFFFAOYSA-N
XLogP0.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172990289
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 18599940
1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 13120361
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 18599941
1-methylpiperidin-2-one;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 67931387
2-hydroperoxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine;hydrochloride
CID 90469824
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;octadecanoic acid
CID 70496276
1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 3015023

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 173252787) is sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride is CC(C)NCC(O)COc1cccc2ccccc12.Cl.[H-].[Na+].
What is the InChIKey of sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is ANJODJZXKKWLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2.ClH.Na.H/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;1H;;/q;;+1;-1.
What are the key properties of sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 319.81 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 173252787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).