(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol

C18H23NO4 — CID 7037801

IUPAC(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
SMILESO[C@H](CNC[C@H](O)COc1ccccc1)COc1ccccc1
InChIInChI=1S/C18H23NO4/c20-15(13-22-17-7-3-1-4-8-17)11-19-12-16(21)14-23-18-9-5-2-6-10-18/h1-10,15-16,19-21H,11-14H2/t15-,16+
InChIKeyVLWOYPVPCIUXFG-IYBDPMFKSA-N
MW317.38 g/mol
LogP1.46
Rot. Bonds10

About (2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol

(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol (PubChem CID 7037801) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is (2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
PubChem CID7037801
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
SMILESO[C@H](CNC[C@H](O)COc1ccccc1)COc1ccccc1
InChIInChI=1S/C18H23NO4/c20-15(13-22-17-7-3-1-4-8-17)11-19-12-16(21)14-23-18-9-5-2-6-10-18/h1-10,15-16,19-21H,11-14H2/t15-,16+
InChIKeyVLWOYPVPCIUXFG-IYBDPMFKSA-N
XLogP1.46
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(2,2-dimethoxyethylamino)-3-phenoxypropan-2-ol
CID 2421328
1-(2-aminopropylamino)-3-phenoxypropan-2-ol
CID 54410968
(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol
CID 40580003
1-(iodoamino)-3-phenoxypropan-2-ol
CID 89357647
(2S)-1-[2-(benzylamino)ethylamino]-3-phenoxypropan-2-ol
CID 129389592
1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol
CID 63239730
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol
CID 113463781
3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol
CID 115359754
(2R)-1-phenoxy-3-(2-phenylsulfanylethylamino)propan-2-ol
CID 10685878
1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol
CID 54856606

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol?
The IUPAC name of (2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol (CID 7037801) is (2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol is O[C@H](CNC[C@H](O)COc1ccccc1)COc1ccccc1.
What is the InChIKey of (2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol?
The InChIKey is VLWOYPVPCIUXFG-IYBDPMFKSA-N. The full InChI is InChI=1S/C18H23NO4/c20-15(13-22-17-7-3-1-4-8-17)11-19-12-16(21)14-23-18-9-5-2-6-10-18/h1-10,15-16,19-21H,11-14H2/t15-,16+.
What are the key properties of (2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol?
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol has a molecular weight of 317.38 g/mol, XLogP of 1.46, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 7037801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).