1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride

C16H23Cl2NO2 — CID 23615940

IUPAC1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
SMILESCC(C)NCC(O)COc1cccc2ccccc12.Cl.Cl
InChIInChI=1S/C16H21NO2.2ClH/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;2*1H
InChIKeyWRIIKRVFVCHXPS-UHFFFAOYSA-N
MW332.27 g/mol
LogP3.42
Rot. Bonds6

About 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride

1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride (PubChem CID 23615940) has the molecular formula C16H23Cl2NO2 and a molecular weight of 332.27 g/mol. Its IUPAC name is 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
PubChem CID23615940
Molecular FormulaC16H23Cl2NO2
Molecular Weight332.27 g/mol
Exact Mass331.11
IUPAC Name1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
SMILESCC(C)NCC(O)COc1cccc2ccccc12.Cl.Cl
InChIInChI=1S/C16H21NO2.2ClH/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;2*1H
InChIKeyWRIIKRVFVCHXPS-UHFFFAOYSA-N
XLogP3.42
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
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1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
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1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
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(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
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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
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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride?
The IUPAC name of 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride (CID 23615940) is 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride is CC(C)NCC(O)COc1cccc2ccccc12.Cl.Cl.
What is the InChIKey of 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride?
The InChIKey is WRIIKRVFVCHXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2.2ClH/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;2*1H.
What are the key properties of 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride?
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride has a molecular weight of 332.27 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride is sourced from PubChem (CID 23615940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).