2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-phenylethanol

C14H16N2O2 — CID 79776187

IUPAC2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-phenylethanol
SMILESNCc1ccc(OCC(O)c2ccccc2)cn1
InChIInChI=1S/C14H16N2O2/c15-8-12-6-7-13(9-16-12)18-10-14(17)11-4-2-1-3-5-11/h1-7,9,14,17H,8,10,15H2
InChIKeyDULXSKIHLFUXGZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.65
Rot. Bonds5

About 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-phenylethanol

2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-phenylethanol (PubChem CID 79776187) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-phenylethanol.

Molecular Properties

Compound Name2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-phenylethanol
PubChem CID79776187
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-phenylethanol
SMILESNCc1ccc(OCC(O)c2ccccc2)cn1
InChIInChI=1S/C14H16N2O2/c15-8-12-6-7-13(9-16-12)18-10-14(17)11-4-2-1-3-5-11/h1-7,9,14,17H,8,10,15H2
InChIKeyDULXSKIHLFUXGZ-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-(3-methoxyphenyl)ethanol
CID 81134459
[5-(2-methylpropoxy)-2-pyridinyl]methanamine
CID 79787202
(1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol
CID 130373001
2-[4-(2-methoxyethyl)phenoxy]-1-phenylethanol
CID 60730618
2-(1-methylpyrazol-4-yl)oxy-1-phenylethanol
CID 116793212
2-[4-(2-hydroxy-2-phenylethoxy)phenyl]acetonitrile
CID 60730786
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol
CID 107718100
(1S)-2-amino-1-(4-phenoxyphenyl)ethanol
CID 39247565
(5-butoxy-2-pyridinyl)methanamine
CID 79787452
3-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propane-1,2-diol
CID 82850321
2-amino-1-phenylethanol;ethane
CID 91425169
2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol
CID 107686254

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-phenylethanol?
The IUPAC name of 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-phenylethanol (CID 79776187) is 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-phenylethanol.
What is the SMILES notation for 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-phenylethanol?
The canonical SMILES for 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-phenylethanol is NCc1ccc(OCC(O)c2ccccc2)cn1.
What is the InChIKey of 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-phenylethanol?
The InChIKey is DULXSKIHLFUXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-8-12-6-7-13(9-16-12)18-10-14(17)11-4-2-1-3-5-11/h1-7,9,14,17H,8,10,15H2.
What are the key properties of 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-phenylethanol?
2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-phenylethanol has a molecular weight of 244.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-phenylethanol is sourced from PubChem (CID 79776187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).