2-[[3-[(1R)-3-(methylamino)-1-phenylpropoxy]-2-pyridinyl]oxy]ethanol

C17H22N2O3 — CID 122574335

IUPAC2-[[3-[(1R)-3-(methylamino)-1-phenylpropoxy]-2-pyridinyl]oxy]ethanol
SMILESCNCC[C@@H](Oc1cccnc1OCCO)c1ccccc1
InChIInChI=1S/C17H22N2O3/c1-18-11-9-15(14-6-3-2-4-7-14)22-16-8-5-10-19-17(16)21-13-12-20/h2-8,10,15,18,20H,9,11-13H2,1H3/t15-/m1/s1
InChIKeyIXEMQJVCRXRZKP-OAHLLOKOSA-N
MW302.37 g/mol
LogP2.18
Rot. Bonds9

About 2-[[3-[(1R)-3-(methylamino)-1-phenylpropoxy]-2-pyridinyl]oxy]ethanol

2-[[3-[(1R)-3-(methylamino)-1-phenylpropoxy]-2-pyridinyl]oxy]ethanol (PubChem CID 122574335) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[[3-[(1R)-3-(methylamino)-1-phenylpropoxy]-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[3-[(1R)-3-(methylamino)-1-phenylpropoxy]-2-pyridinyl]oxy]ethanol
PubChem CID122574335
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-[[3-[(1R)-3-(methylamino)-1-phenylpropoxy]-2-pyridinyl]oxy]ethanol
SMILESCNCC[C@@H](Oc1cccnc1OCCO)c1ccccc1
InChIInChI=1S/C17H22N2O3/c1-18-11-9-15(14-6-3-2-4-7-14)22-16-8-5-10-19-17(16)21-13-12-20/h2-8,10,15,18,20H,9,11-13H2,1H3/t15-/m1/s1
InChIKeyIXEMQJVCRXRZKP-OAHLLOKOSA-N
XLogP2.18
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[(1R)-3-(methylamino)-1-phenylpropoxy]-2-pyridinyl]oxy]ethanol with MolForge

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Related Compounds

5-Hexyl-2-pyridin-3-yloxyphenol
CID 44450159
2-(2-Methoxyphenoxy)-3-(piperidin-4-yl)pyridine
CID 44133674
3-((S)-1-Azetidin-2-ylmethoxy)-5-phenyl-pyridine
CID 22872635
7-(5-Propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57485797
7-(5-Phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57485799
tert-butyl N-[(1S,2R)-1-benzyl-3-[[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-[4-[2-(3-pyridyloxy)ethoxy]phenyl]butyl]amino]-2-hydroxy-propyl]carbamate
CID 463279
3-[(2S)-2-amino-3-phenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 20744808
3-[(2S)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]phenol
CID 23646972
3-methyl-2-[(1S)-1-phenylethoxy]-4-(piperidin-4-yl)pyridine
CID 25263334
(2S)-1-(benzyloxy)-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propan-2-amine
CID 10309109
[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-propyl]-[2-(pyridin-2-yloxy)-ethyl]-amine
CID 10020030
7-[5-(2-Methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
CID 71455355

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(1R)-3-(methylamino)-1-phenylpropoxy]-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[3-[(1R)-3-(methylamino)-1-phenylpropoxy]-2-pyridinyl]oxy]ethanol (CID 122574335) is 2-[[3-[(1R)-3-(methylamino)-1-phenylpropoxy]-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[3-[(1R)-3-(methylamino)-1-phenylpropoxy]-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[3-[(1R)-3-(methylamino)-1-phenylpropoxy]-2-pyridinyl]oxy]ethanol is CNCC[C@@H](Oc1cccnc1OCCO)c1ccccc1.
What is the InChIKey of 2-[[3-[(1R)-3-(methylamino)-1-phenylpropoxy]-2-pyridinyl]oxy]ethanol?
The InChIKey is IXEMQJVCRXRZKP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-18-11-9-15(14-6-3-2-4-7-14)22-16-8-5-10-19-17(16)21-13-12-20/h2-8,10,15,18,20H,9,11-13H2,1H3/t15-/m1/s1.
What are the key properties of 2-[[3-[(1R)-3-(methylamino)-1-phenylpropoxy]-2-pyridinyl]oxy]ethanol?
2-[[3-[(1R)-3-(methylamino)-1-phenylpropoxy]-2-pyridinyl]oxy]ethanol has a molecular weight of 302.37 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(1R)-3-(methylamino)-1-phenylpropoxy]-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 122574335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).