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

C23H34N2O4 — CID 40580003

IUPAC(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol
SMILESCC(C)(CNC[C@@H](O)COc1ccccc1)CNC[C@@H](O)COc1ccccc1
InChIInChI=1S/C23H34N2O4/c1-23(2,17-24-13-19(26)15-28-21-9-5-3-6-10-21)18-25-14-20(27)16-29-22-11-7-4-8-12-22/h3-12,19-20,24-27H,13-18H2,1-2H3/t19-,20-/m1/s1
InChIKeyZZOWGFFBXUUUNE-WOJBJXKFSA-N
MW402.54 g/mol
LogP2.07
Rot. Bonds14

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

(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol (PubChem CID 40580003) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is (2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol
PubChem CID40580003
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Name(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol
SMILESCC(C)(CNC[C@@H](O)COc1ccccc1)CNC[C@@H](O)COc1ccccc1
InChIInChI=1S/C23H34N2O4/c1-23(2,17-24-13-19(26)15-28-21-9-5-3-6-10-21)18-25-14-20(27)16-29-22-11-7-4-8-12-22/h3-12,19-20,24-27H,13-18H2,1-2H3/t19-,20-/m1/s1
InChIKeyZZOWGFFBXUUUNE-WOJBJXKFSA-N
XLogP2.07
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol with MolForge

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Related Compounds

3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol
CID 115359754
1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol
CID 63239730
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-(2,2-dimethylbutylamino)-3-(4-fluorophenoxy)propan-2-ol
CID 103698735
3-[[3-(4-bromophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropan-1-ol
CID 115359902
1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol
CID 113253719
(2R)-1-(2,2-dimethoxyethylamino)-3-phenoxypropan-2-ol
CID 2421328
1-(2-aminopropylamino)-3-phenoxypropan-2-ol
CID 54410968
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(iodoamino)-3-phenoxypropan-2-ol
CID 89357647
1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol
CID 113463781
tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate
CID 14249476

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol?
The IUPAC name of (2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol (CID 40580003) is (2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol is CC(C)(CNC[C@@H](O)COc1ccccc1)CNC[C@@H](O)COc1ccccc1.
What is the InChIKey of (2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol?
The InChIKey is ZZOWGFFBXUUUNE-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-23(2,17-24-13-19(26)15-28-21-9-5-3-6-10-21)18-25-14-20(27)16-29-22-11-7-4-8-12-22/h3-12,19-20,24-27H,13-18H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of (2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol?
(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol has a molecular weight of 402.54 g/mol, XLogP of 2.07, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 40580003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).