(2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol

C23H25NO2 — CID 2520495

IUPAC(2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol
SMILESO[C@H](CN[C@H]1CCCc2ccccc21)COc1ccc2ccccc2c1
InChIInChI=1S/C23H25NO2/c25-20(15-24-23-11-5-9-18-7-3-4-10-22(18)23)16-26-21-13-12-17-6-1-2-8-19(17)14-21/h1-4,6-8,10,12-14,20,23-25H,5,9,11,15-16H2/t20-,23+/m1/s1
InChIKeyIFKJZRBFDUBHHF-OFNKIYASSA-N
MW347.46 g/mol
LogP4.25
Rot. Bonds6

About (2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol

(2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol (PubChem CID 2520495) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol
PubChem CID2520495
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name(2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol
SMILESO[C@H](CN[C@H]1CCCc2ccccc21)COc1ccc2ccccc2c1
InChIInChI=1S/C23H25NO2/c25-20(15-24-23-11-5-9-18-7-3-4-10-22(18)23)16-26-21-13-12-17-6-1-2-8-19(17)14-21/h1-4,6-8,10,12-14,20,23-25H,5,9,11,15-16H2/t20-,23+/m1/s1
InChIKeyIFKJZRBFDUBHHF-OFNKIYASSA-N
XLogP4.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol with MolForge

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Related Compounds

1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 4555077
1-(2-prop-2-ynoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 14751068
2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propane-1-sulfonic acid
CID 58931844
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-naphthalen-2-yloxyacetate
CID 4611696
1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60710571
3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propane-1,2-diol
CID 82849320
(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2769824
1-(2,3-dihydro-1H-inden-1-ylamino)-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol
CID 2811446
1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-ylamino)propan-2-ol
CID 103157324
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102904359
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940

Frequently Asked Questions

What is the IUPAC name of (2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol?
The IUPAC name of (2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol (CID 2520495) is (2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol is O[C@H](CN[C@H]1CCCc2ccccc21)COc1ccc2ccccc2c1.
What is the InChIKey of (2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol?
The InChIKey is IFKJZRBFDUBHHF-OFNKIYASSA-N. The full InChI is InChI=1S/C23H25NO2/c25-20(15-24-23-11-5-9-18-7-3-4-10-22(18)23)16-26-21-13-12-17-6-1-2-8-19(17)14-21/h1-4,6-8,10,12-14,20,23-25H,5,9,11,15-16H2/t20-,23+/m1/s1.
What are the key properties of (2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol?
(2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol has a molecular weight of 347.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol is sourced from PubChem (CID 2520495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).