(2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol

C18H25NO3 — CID 129395847

IUPAC(2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](O)COc1ccc([C@@H](C)O)c2ccccc12
InChIInChI=1S/C18H25NO3/c1-12(2)19-10-14(21)11-22-18-9-8-15(13(3)20)16-6-4-5-7-17(16)18/h4-9,12-14,19-21H,10-11H2,1-3H3/t13-,14-/m1/s1
InChIKeyZUYDLYHVCYXAQH-ZIAGYGMSSA-N
MW303.40 g/mol
LogP2.63
Rot. Bonds7

About (2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol

(2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol (PubChem CID 129395847) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol
PubChem CID129395847
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](O)COc1ccc([C@@H](C)O)c2ccccc12
InChIInChI=1S/C18H25NO3/c1-12(2)19-10-14(21)11-22-18-9-8-15(13(3)20)16-6-4-5-7-17(16)18/h4-9,12-14,19-21H,10-11H2,1-3H3/t13-,14-/m1/s1
InChIKeyZUYDLYHVCYXAQH-ZIAGYGMSSA-N
XLogP2.63
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol with MolForge

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Related Compounds

1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 3015023
1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 90672310
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
4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide
CID 129396178
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810
1-(2-ethoxy-3,4-diphenylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 175098117
1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 11843223
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
1-[2-(2,3-dibromopropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 11329315

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol (CID 129395847) is (2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol is CC(C)NC[C@@H](O)COc1ccc([C@@H](C)O)c2ccccc12.
What is the InChIKey of (2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is ZUYDLYHVCYXAQH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12(2)19-10-14(21)11-22-18-9-8-15(13(3)20)16-6-4-5-7-17(16)18/h4-9,12-14,19-21H,10-11H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of (2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol?
(2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 303.40 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 129395847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).