(2R)-2-phenyl-2-[[(1R)-1-pyridin-2-ylbut-3-enyl]amino]ethanol

C17H20N2O — CID 11277194

IUPAC(2R)-2-phenyl-2-[[(1R)-1-pyridin-2-ylbut-3-enyl]amino]ethanol
SMILESC=CC[C@@H](N[C@@H](CO)c1ccccc1)c1ccccn1
InChIInChI=1S/C17H20N2O/c1-2-8-16(15-11-6-7-12-18-15)19-17(13-20)14-9-4-3-5-10-14/h2-7,9-12,16-17,19-20H,1,8,13H2/t16-,17+/m1/s1
InChIKeyWXWUNEJPRKGNKM-SJORKVTESA-N
MW268.36 g/mol
LogP3.02
Rot. Bonds7

About (2R)-2-phenyl-2-[[(1R)-1-pyridin-2-ylbut-3-enyl]amino]ethanol

(2R)-2-phenyl-2-[[(1R)-1-pyridin-2-ylbut-3-enyl]amino]ethanol (PubChem CID 11277194) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[[(1R)-1-pyridin-2-ylbut-3-enyl]amino]ethanol.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[[(1R)-1-pyridin-2-ylbut-3-enyl]amino]ethanol
PubChem CID11277194
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(2R)-2-phenyl-2-[[(1R)-1-pyridin-2-ylbut-3-enyl]amino]ethanol
SMILESC=CC[C@@H](N[C@@H](CO)c1ccccc1)c1ccccn1
InChIInChI=1S/C17H20N2O/c1-2-8-16(15-11-6-7-12-18-15)19-17(13-20)14-9-4-3-5-10-14/h2-7,9-12,16-17,19-20H,1,8,13H2/t16-,17+/m1/s1
InChIKeyWXWUNEJPRKGNKM-SJORKVTESA-N
XLogP3.02
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[[(1R)-1-pyridin-2-ylbut-3-enyl]amino]ethanol?
The IUPAC name of (2R)-2-phenyl-2-[[(1R)-1-pyridin-2-ylbut-3-enyl]amino]ethanol (CID 11277194) is (2R)-2-phenyl-2-[[(1R)-1-pyridin-2-ylbut-3-enyl]amino]ethanol.
What is the SMILES notation for (2R)-2-phenyl-2-[[(1R)-1-pyridin-2-ylbut-3-enyl]amino]ethanol?
The canonical SMILES for (2R)-2-phenyl-2-[[(1R)-1-pyridin-2-ylbut-3-enyl]amino]ethanol is C=CC[C@@H](N[C@@H](CO)c1ccccc1)c1ccccn1.
What is the InChIKey of (2R)-2-phenyl-2-[[(1R)-1-pyridin-2-ylbut-3-enyl]amino]ethanol?
The InChIKey is WXWUNEJPRKGNKM-SJORKVTESA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-8-16(15-11-6-7-12-18-15)19-17(13-20)14-9-4-3-5-10-14/h2-7,9-12,16-17,19-20H,1,8,13H2/t16-,17+/m1/s1.
What are the key properties of (2R)-2-phenyl-2-[[(1R)-1-pyridin-2-ylbut-3-enyl]amino]ethanol?
(2R)-2-phenyl-2-[[(1R)-1-pyridin-2-ylbut-3-enyl]amino]ethanol has a molecular weight of 268.36 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[[(1R)-1-pyridin-2-ylbut-3-enyl]amino]ethanol is sourced from PubChem (CID 11277194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).