(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride

C16H22ClNO2 — CID 43834240

IUPAC(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride
SMILESCC(C)[NH2+]CC(O)COc1cccc2ccccc12.[Cl-]
InChIInChI=1S/C16H21NO2.ClH/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
InChIKeyZMRUPTIKESYGQW-UHFFFAOYSA-N
MW295.81 g/mol
LogP-1.44
Rot. Bonds6

About (2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride

(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride (PubChem CID 43834240) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is (2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride.

Molecular Properties

Compound Name(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride
PubChem CID43834240
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride
SMILESCC(C)[NH2+]CC(O)COc1cccc2ccccc12.[Cl-]
InChIInChI=1S/C16H21NO2.ClH/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
InChIKeyZMRUPTIKESYGQW-UHFFFAOYSA-N
XLogP-1.44
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-propan-2-ylazanium;[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-propan-2-ylazanium;methanol;oxalate
CID 139201155
(1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride
CID 18529256
[(2S)-3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 6988830
4-amino-1-naphthalen-1-yloxybutan-2-ol
CID 86215876
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
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-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 13120361
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
[(2S)-3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 7372980

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride?
The IUPAC name of (2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride (CID 43834240) is (2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride.
What is the SMILES notation for (2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride?
The canonical SMILES for (2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride is CC(C)[NH2+]CC(O)COc1cccc2ccccc12.[Cl-].
What is the InChIKey of (2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride?
The InChIKey is ZMRUPTIKESYGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2.ClH/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.
What are the key properties of (2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride?
(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride has a molecular weight of 295.81 g/mol, XLogP of -1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride is sourced from PubChem (CID 43834240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).