2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol

C17H22N2O3 — CID 110908334

IUPAC2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol
SMILESCOc1cc(C(C)NCc2ccncc2)ccc1OCCO
InChIInChI=1S/C17H22N2O3/c1-13(19-12-14-5-7-18-8-6-14)15-3-4-16(22-10-9-20)17(11-15)21-2/h3-8,11,13,19-20H,9-10,12H2,1-2H3
InChIKeySCNOXVFGDBAMEG-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.31
Rot. Bonds8

About 2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol

2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol (PubChem CID 110908334) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol
PubChem CID110908334
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol
SMILESCOc1cc(C(C)NCc2ccncc2)ccc1OCCO
InChIInChI=1S/C17H22N2O3/c1-13(19-12-14-5-7-18-8-6-14)15-3-4-16(22-10-9-20)17(11-15)21-2/h3-8,11,13,19-20H,9-10,12H2,1-2H3
InChIKeySCNOXVFGDBAMEG-UHFFFAOYSA-N
XLogP2.31
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxy-4-[1-(1,3-thiazol-2-ylmethylamino)ethyl]phenoxy]ethanol
CID 110928652
3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol
CID 95336432
2-[2-methoxy-4-[1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenoxy]ethanol
CID 119110227
2-[2-methoxy-4-[(1S)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenoxy]ethanol
CID 95331813
1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 51086161
2-[2-methoxy-4-[1-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]ethanol
CID 110908335
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43204862
2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol
CID 51086959
(1S)-1-[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]ethanamine
CID 78936400
(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol
CID 66515047
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine
CID 43279483

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol?
The IUPAC name of 2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol (CID 110908334) is 2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol is COc1cc(C(C)NCc2ccncc2)ccc1OCCO.
What is the InChIKey of 2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol?
The InChIKey is SCNOXVFGDBAMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-13(19-12-14-5-7-18-8-6-14)15-3-4-16(22-10-9-20)17(11-15)21-2/h3-8,11,13,19-20H,9-10,12H2,1-2H3.
What are the key properties of 2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol?
2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol has a molecular weight of 302.37 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol is sourced from PubChem (CID 110908334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).