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

C15H18N2O3 — CID 81134459

IUPAC2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)COc2ccc(CN)nc2)c1
InChIInChI=1S/C15H18N2O3/c1-19-13-4-2-3-11(7-13)15(18)10-20-14-6-5-12(8-16)17-9-14/h2-7,9,15,18H,8,10,16H2,1H3
InChIKeyZMOOOWOHALUAMS-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.66
Rot. Bonds6

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

2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-(3-methoxyphenyl)ethanol (PubChem CID 81134459) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-(3-methoxyphenyl)ethanol
PubChem CID81134459
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)COc2ccc(CN)nc2)c1
InChIInChI=1S/C15H18N2O3/c1-19-13-4-2-3-11(7-13)15(18)10-20-14-6-5-12(8-16)17-9-14/h2-7,9,15,18H,8,10,16H2,1H3
InChIKeyZMOOOWOHALUAMS-UHFFFAOYSA-N
XLogP1.66
TPSA77.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-phenylethanol
CID 79776187
2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134404
2-(3,5-difluorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 62783956
[5-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methanamine
CID 79775923
1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone
CID 81133388
2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol
CID 116802474
2-(4-bromo-3,5-dimethylphenoxy)-1-(3-methoxyphenyl)ethanol
CID 107725514
[5-(2-methylpropoxy)-2-pyridinyl]methanamine
CID 79787202
[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate
CID 135065936
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
CID 63892362
2-[2-(hydroxymethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134038

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-(3-methoxyphenyl)ethanol (CID 81134459) is 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)COc2ccc(CN)nc2)c1.
What is the InChIKey of 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-(3-methoxyphenyl)ethanol?
The InChIKey is ZMOOOWOHALUAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-13-4-2-3-11(7-13)15(18)10-20-14-6-5-12(8-16)17-9-14/h2-7,9,15,18H,8,10,16H2,1H3.
What are the key properties of 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-(3-methoxyphenyl)ethanol?
2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-(3-methoxyphenyl)ethanol has a molecular weight of 274.32 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81134459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).