1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol

C15H18N2O2 — CID 78954160

IUPAC1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol
SMILESCOc1cccc(C(O)CNCc2ccccn2)c1
InChIInChI=1S/C15H18N2O2/c1-19-14-7-4-5-12(9-14)15(18)11-16-10-13-6-2-3-8-17-13/h2-9,15-16,18H,10-11H2,1H3
InChIKeyACNFLRAIRKXFGE-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.91
Rot. Bonds6

About 1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol

1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol (PubChem CID 78954160) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol
PubChem CID78954160
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol
SMILESCOc1cccc(C(O)CNCc2ccccn2)c1
InChIInChI=1S/C15H18N2O2/c1-19-14-7-4-5-12(9-14)15(18)11-16-10-13-6-2-3-8-17-13/h2-9,15-16,18H,10-11H2,1H3
InChIKeyACNFLRAIRKXFGE-UHFFFAOYSA-N
XLogP1.91
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 81135106
1-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 81134991
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
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1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
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1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
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3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 78967042
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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol (CID 78954160) is 1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol is COc1cccc(C(O)CNCc2ccccn2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol?
The InChIKey is ACNFLRAIRKXFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-14-7-4-5-12(9-14)15(18)11-16-10-13-6-2-3-8-17-13/h2-9,15-16,18H,10-11H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol?
1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol has a molecular weight of 258.32 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol is sourced from PubChem (CID 78954160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).