1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride

C17H24ClNO2 — CID 13120361

IUPAC1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride
SMILESCC(C)NCCC(O)COc1cccc2ccccc12.Cl
InChIInChI=1S/C17H23NO2.ClH/c1-13(2)18-11-10-15(19)12-20-17-9-5-7-14-6-3-4-8-16(14)17;/h3-9,13,15,18-19H,10-12H2,1-2H3;1H
InChIKeyAWDSVIJMXVTYHD-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.39
Rot. Bonds7

About 1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride

1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride (PubChem CID 13120361) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride
PubChem CID13120361
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride
SMILESCC(C)NCCC(O)COc1cccc2ccccc12.Cl
InChIInChI=1S/C17H23NO2.ClH/c1-13(2)18-11-10-15(19)12-20-17-9-5-7-14-6-3-4-8-16(14)17;/h3-9,13,15,18-19H,10-12H2,1-2H3;1H
InChIKeyAWDSVIJMXVTYHD-UHFFFAOYSA-N
XLogP3.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.39
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
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
4-amino-1-naphthalen-1-yloxybutan-2-ol
CID 86215876
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 18599940
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
2-hydroperoxy-3-naphthalen-1-yloxy-N-propan-2-ylpropan-1-amine;hydrochloride
CID 90469824
1-naphthalen-1-yloxyundecan-2-ol
CID 2793899
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 18599941
1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 22640874
1-(1-chloro-3-naphthalen-1-yloxypropan-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172990289

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride?
The IUPAC name of 1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride (CID 13120361) is 1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride.
What is the SMILES notation for 1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride?
The canonical SMILES for 1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride is CC(C)NCCC(O)COc1cccc2ccccc12.Cl.
What is the InChIKey of 1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride?
The InChIKey is AWDSVIJMXVTYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2.ClH/c1-13(2)18-11-10-15(19)12-20-17-9-5-7-14-6-3-4-8-16(14)17;/h3-9,13,15,18-19H,10-12H2,1-2H3;1H.
What are the key properties of 1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride?
1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride has a molecular weight of 309.84 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride is sourced from PubChem (CID 13120361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).