(1S)-1-phenyl-2-(pyridin-2-ylamino)ethanol

C13H14N2O — CID 3246070

IUPAC(1S)-1-phenyl-2-(pyridin-2-ylamino)ethanol
SMILESO[C@H](CNc1ccccn1)c1ccccc1
InChIInChI=1S/C13H14N2O/c16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13/h1-9,12,16H,10H2,(H,14,15)/t12-/m1/s1
InChIKeyZEAJXCPGHPJVNP-GFCCVEGCSA-N
MW214.27 g/mol
LogP2.23
Rot. Bonds4

About (1S)-1-phenyl-2-(pyridin-2-ylamino)ethanol

(1S)-1-phenyl-2-(pyridin-2-ylamino)ethanol (PubChem CID 3246070) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (1S)-1-phenyl-2-(pyridin-2-ylamino)ethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-2-(pyridin-2-ylamino)ethanol
PubChem CID3246070
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(1S)-1-phenyl-2-(pyridin-2-ylamino)ethanol
SMILESO[C@H](CNc1ccccn1)c1ccccc1
InChIInChI=1S/C13H14N2O/c16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13/h1-9,12,16H,10H2,(H,14,15)/t12-/m1/s1
InChIKeyZEAJXCPGHPJVNP-GFCCVEGCSA-N
XLogP2.23
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2-(pyridin-2-ylamino)ethanol?
The IUPAC name of (1S)-1-phenyl-2-(pyridin-2-ylamino)ethanol (CID 3246070) is (1S)-1-phenyl-2-(pyridin-2-ylamino)ethanol.
What is the SMILES notation for (1S)-1-phenyl-2-(pyridin-2-ylamino)ethanol?
The canonical SMILES for (1S)-1-phenyl-2-(pyridin-2-ylamino)ethanol is O[C@H](CNc1ccccn1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-2-(pyridin-2-ylamino)ethanol?
The InChIKey is ZEAJXCPGHPJVNP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H14N2O/c16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13/h1-9,12,16H,10H2,(H,14,15)/t12-/m1/s1.
What are the key properties of (1S)-1-phenyl-2-(pyridin-2-ylamino)ethanol?
(1S)-1-phenyl-2-(pyridin-2-ylamino)ethanol has a molecular weight of 214.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2-(pyridin-2-ylamino)ethanol is sourced from PubChem (CID 3246070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).