(2S)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]oxyethanol

C17H19NO2 — CID 11184767

IUPAC(2S)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]oxyethanol
SMILESC=C[C@@H](NO[C@H](CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-2-16(14-9-5-3-6-10-14)18-20-17(13-19)15-11-7-4-8-12-15/h2-12,16-19H,1,13H2/t16-,17-/m1/s1
InChIKeyTUNIWBMTIZVELN-IAGOWNOFSA-N
MW269.34 g/mol
LogP3.17
Rot. Bonds7

About (2S)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]oxyethanol

(2S)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]oxyethanol (PubChem CID 11184767) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]oxyethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]oxyethanol
PubChem CID11184767
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(2S)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]oxyethanol
SMILESC=C[C@@H](NO[C@H](CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-2-16(14-9-5-3-6-10-14)18-20-17(13-19)15-11-7-4-8-12-15/h2-12,16-19H,1,13H2/t16-,17-/m1/s1
InChIKeyTUNIWBMTIZVELN-IAGOWNOFSA-N
XLogP3.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]oxyethanol?
The IUPAC name of (2S)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]oxyethanol (CID 11184767) is (2S)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]oxyethanol.
What is the SMILES notation for (2S)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]oxyethanol?
The canonical SMILES for (2S)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]oxyethanol is C=C[C@@H](NO[C@H](CO)c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]oxyethanol?
The InChIKey is TUNIWBMTIZVELN-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-16(14-9-5-3-6-10-14)18-20-17(13-19)15-11-7-4-8-12-15/h2-12,16-19H,1,13H2/t16-,17-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]oxyethanol?
(2S)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]oxyethanol has a molecular weight of 269.34 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]oxyethanol is sourced from PubChem (CID 11184767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).