(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol

C15H18N2O — CID 93032010

IUPAC(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
SMILESC[C@H](NC[C@@H](O)c1ccccc1)c1ccncc1
InChIInChI=1S/C15H18N2O/c1-12(13-7-9-16-10-8-13)17-11-15(18)14-5-3-2-4-6-14/h2-10,12,15,17-18H,11H2,1H3/t12-,15+/m0/s1
InChIKeyAZQZMWXYXXMYIR-SWLSCSKDSA-N
MW242.32 g/mol
LogP2.47
Rot. Bonds5

About (1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol

(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol (PubChem CID 93032010) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
PubChem CID93032010
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
SMILESC[C@H](NC[C@@H](O)c1ccccc1)c1ccncc1
InChIInChI=1S/C15H18N2O/c1-12(13-7-9-16-10-8-13)17-11-15(18)14-5-3-2-4-6-14/h2-10,12,15,17-18H,11H2,1H3/t12-,15+/m0/s1
InChIKeyAZQZMWXYXXMYIR-SWLSCSKDSA-N
XLogP2.47
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
1-phenyl-2-(1-pyridin-3-ylethylamino)ethanol
CID 43499221
1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol
CID 81410736
1-phenyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 43388825
(1R)-2-[[(R)-phenyl(pyridin-4-yl)methyl]amino]-1-pyridin-4-ylethanol
CID 99852293
3-methyl-2-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butan-1-amine
CID 107876315
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832
1-(4-methylphenyl)-2-[[phenyl(pyridin-4-yl)methyl]amino]ethanol
CID 110010234
1-phenyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81407252
1-phenyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 43394637

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol?
The IUPAC name of (1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol (CID 93032010) is (1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol.
What is the SMILES notation for (1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol?
The canonical SMILES for (1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol is C[C@H](NC[C@@H](O)c1ccccc1)c1ccncc1.
What is the InChIKey of (1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol?
The InChIKey is AZQZMWXYXXMYIR-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12(13-7-9-16-10-8-13)17-11-15(18)14-5-3-2-4-6-14/h2-10,12,15,17-18H,11H2,1H3/t12-,15+/m0/s1.
What are the key properties of (1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol?
(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol has a molecular weight of 242.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol is sourced from PubChem (CID 93032010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).