(2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol

C20H20N2O2 — CID 51567729

IUPAC(2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol
SMILESO[C@@H](CNc1ccccn1)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H20N2O2/c23-18(14-22-20-8-4-5-13-21-20)15-24-19-11-9-17(10-12-19)16-6-2-1-3-7-16/h1-13,18,23H,14-15H2,(H,21,22)/t18-/m0/s1
InChIKeyOIQNAQQMADINQQ-SFHVURJKSA-N
MW320.39 g/mol
LogP3.60
Rot. Bonds7

About (2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol

(2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol (PubChem CID 51567729) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol
PubChem CID51567729
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol
SMILESO[C@@H](CNc1ccccn1)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H20N2O2/c23-18(14-22-20-8-4-5-13-21-20)15-24-19-11-9-17(10-12-19)16-6-2-1-3-7-16/h1-13,18,23H,14-15H2,(H,21,22)/t18-/m0/s1
InChIKeyOIQNAQQMADINQQ-SFHVURJKSA-N
XLogP3.60
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 133274208
(2R)-1-butoxy-3-(pyridin-2-ylamino)propan-2-ol
CID 638982
(2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol
CID 101048888
1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol
CID 44785149
1-(4-phenylphenoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 4779843
(2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 40793174
1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81402245
[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-trimethylazanium
CID 51859248
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 92520942
(2S)-1-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 2485160

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol?
The IUPAC name of (2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol (CID 51567729) is (2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol is O[C@@H](CNc1ccccn1)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol?
The InChIKey is OIQNAQQMADINQQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-18(14-22-20-8-4-5-13-21-20)15-24-19-11-9-17(10-12-19)16-6-2-1-3-7-16/h1-13,18,23H,14-15H2,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol?
(2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol has a molecular weight of 320.39 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol is sourced from PubChem (CID 51567729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).