5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol

C21H23NO3 — CID 16736096

IUPAC5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol
SMILESC[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1
InChIInChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21-/m1/s1
InChIKeyQGUPDXLZKDANGO-SPLOXXLWSA-N
MW337.42 g/mol
LogP3.51
Rot. Bonds6

About 5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol

5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol (PubChem CID 16736096) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol
PubChem CID16736096
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol
SMILESC[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1
InChIInChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21-/m1/s1
InChIKeyQGUPDXLZKDANGO-SPLOXXLWSA-N
XLogP3.51
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol with MolForge

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Related Compounds

but-2-enedioic acid;5-[(1S)-1-hydroxy-2-[[(2S)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol
CID 67538447
but-2-enedioic acid;5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol
CID 67539129
5-[(1S)-1-hydroxy-2-[[(2S)-1-(4-methoxynaphthalen-1-yl)propan-2-yl]amino]ethyl]benzene-1,3-diol
CID 146025810
3-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-N-(2-naphthalen-1-ylethyl)benzamide
CID 68836499
3-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]phenol
CID 129056709
4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]naphthalen-1-ol
CID 163749959
5-[(1S)-2-[[(2R)-1-(3-aminophenyl)propan-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol
CID 123133226
4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol
CID 129056722
2-[3-[(2R)-2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]phenyl]-N-[(2-methylsulfanylphenyl)methyl]acetamide
CID 163913441
(4E)-9,12-dihydroxy-11-[(1S)-1-hydroxy-2-[[(2S)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]-2,7-dioxabicyclo[6.3.1]dodeca-1(12),4,8,10-tetraene-3,6-dione
CID 140603946
5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol;5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol
CID 90002784
5-[2-[1-(4-aminophenyl)propan-2-ylamino]-1-hydroxyethyl]benzene-1,3-diol
CID 67537362

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol (CID 16736096) is 5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol is C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol?
The InChIKey is QGUPDXLZKDANGO-SPLOXXLWSA-N. The full InChI is InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21-/m1/s1.
What are the key properties of 5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol?
5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol has a molecular weight of 337.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-hydroxy-2-[[(2R)-1-naphthalen-1-ylpropan-2-yl]amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 16736096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).