3-(3-amino-2-pyridin-3-ylpropoxy)phenol

C14H16N2O2 — CID 117241277

IUPAC3-(3-amino-2-pyridin-3-ylpropoxy)phenol
SMILESNCC(COc1cccc(O)c1)c1cccnc1
InChIInChI=1S/C14H16N2O2/c15-8-12(11-3-2-6-16-9-11)10-18-14-5-1-4-13(17)7-14/h1-7,9,12,17H,8,10,15H2
InChIKeyJNJAOGVUMYRQTR-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.91
Rot. Bonds5

About 3-(3-amino-2-pyridin-3-ylpropoxy)phenol

3-(3-amino-2-pyridin-3-ylpropoxy)phenol (PubChem CID 117241277) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(3-amino-2-pyridin-3-ylpropoxy)phenol.

Molecular Properties

Compound Name3-(3-amino-2-pyridin-3-ylpropoxy)phenol
PubChem CID117241277
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(3-amino-2-pyridin-3-ylpropoxy)phenol
SMILESNCC(COc1cccc(O)c1)c1cccnc1
InChIInChI=1S/C14H16N2O2/c15-8-12(11-3-2-6-16-9-11)10-18-14-5-1-4-13(17)7-14/h1-7,9,12,17H,8,10,15H2
InChIKeyJNJAOGVUMYRQTR-UHFFFAOYSA-N
XLogP1.91
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylphenoxy)-3-pyridin-3-ylbutan-1-amine
CID 112516545
3-(2-methoxyphenoxy)-2-pyridin-3-ylpropan-1-amine
CID 112516632
2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol
CID 117243012
3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol
CID 117241285
3-(3-amino-2-cyclohexylpropoxy)phenol
CID 117245987
2-(3-hydroxy-2-pyridin-3-ylpropoxy)phenol
CID 117241268
2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol
CID 117243147
3-[4-amino-2-(4-fluorophenyl)hexoxy]phenol
CID 90835218
2-(3-chlorophenyl)-3-phenoxypropan-1-amine
CID 117242977
3-(3-chlorophenyl)-2-pyridin-3-ylpropan-1-amine
CID 83825270
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
3-(2-fluoropropoxy)phenol
CID 84653742

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-pyridin-3-ylpropoxy)phenol?
The IUPAC name of 3-(3-amino-2-pyridin-3-ylpropoxy)phenol (CID 117241277) is 3-(3-amino-2-pyridin-3-ylpropoxy)phenol.
What is the SMILES notation for 3-(3-amino-2-pyridin-3-ylpropoxy)phenol?
The canonical SMILES for 3-(3-amino-2-pyridin-3-ylpropoxy)phenol is NCC(COc1cccc(O)c1)c1cccnc1.
What is the InChIKey of 3-(3-amino-2-pyridin-3-ylpropoxy)phenol?
The InChIKey is JNJAOGVUMYRQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-8-12(11-3-2-6-16-9-11)10-18-14-5-1-4-13(17)7-14/h1-7,9,12,17H,8,10,15H2.
What are the key properties of 3-(3-amino-2-pyridin-3-ylpropoxy)phenol?
3-(3-amino-2-pyridin-3-ylpropoxy)phenol has a molecular weight of 244.29 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-pyridin-3-ylpropoxy)phenol is sourced from PubChem (CID 117241277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).