(2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol

C23H21NO2 — CID 917554

IUPAC(2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol
SMILESO[C@H](CNc1cccc2ccccc12)COc1ccc2ccccc2c1
InChIInChI=1S/C23H21NO2/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/h1-14,20,24-25H,15-16H2/t20-/m1/s1
InChIKeyFVIDRQIFCFSYNT-HXUWFJFHSA-N
MW343.43 g/mol
LogP4.84
Rot. Bonds6

About (2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol

(2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 917554) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol
PubChem CID917554
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name(2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol
SMILESO[C@H](CNc1cccc2ccccc12)COc1ccc2ccccc2c1
InChIInChI=1S/C23H21NO2/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/h1-14,20,24-25H,15-16H2/t20-/m1/s1
InChIKeyFVIDRQIFCFSYNT-HXUWFJFHSA-N
XLogP4.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-hydroxy-3-naphthalen-1-yloxypropyl)hydrazinyl]-3-naphthalen-2-yloxypropan-2-ol
CID 170687383
(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2769824
3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963
1-naphthalen-2-yloxypropan-2-ol
CID 2793897
1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 119057189
1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol
CID 60901313
1-(2-iodoanilino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60901769
4-[(1S,2S)-1-hydroxy-2-[[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol
CID 7872772
4-[(1S,2R)-1-hydroxy-2-[[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol
CID 2537566
1-(3-methylphenoxy)-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644730
[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]-dimethylazanium
CID 7452468

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol (CID 917554) is (2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol is O[C@H](CNc1cccc2ccccc12)COc1ccc2ccccc2c1.
What is the InChIKey of (2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is FVIDRQIFCFSYNT-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21NO2/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/h1-14,20,24-25H,15-16H2/t20-/m1/s1.
What are the key properties of (2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol?
(2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 343.43 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 917554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).