2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethanol

C15H18N2O3 — CID 131855914

IUPAC2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethanol
SMILESCOc1ccc(Oc2ccnc(N(C)CCO)c2)cc1
InChIInChI=1S/C15H18N2O3/c1-17(9-10-18)15-11-14(7-8-16-15)20-13-5-3-12(19-2)4-6-13/h3-8,11,18H,9-10H2,1-2H3
InChIKeyOKBXQNOEKDLRPP-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.31
Rot. Bonds6

About 2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethanol

2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethanol (PubChem CID 131855914) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethanol
PubChem CID131855914
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethanol
SMILESCOc1ccc(Oc2ccnc(N(C)CCO)c2)cc1
InChIInChI=1S/C15H18N2O3/c1-17(9-10-18)15-11-14(7-8-16-15)20-13-5-3-12(19-2)4-6-13/h3-8,11,18H,9-10H2,1-2H3
InChIKeyOKBXQNOEKDLRPP-UHFFFAOYSA-N
XLogP2.31
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethanol?
The IUPAC name of 2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethanol (CID 131855914) is 2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethanol?
The canonical SMILES for 2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethanol is COc1ccc(Oc2ccnc(N(C)CCO)c2)cc1.
What is the InChIKey of 2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethanol?
The InChIKey is OKBXQNOEKDLRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-17(9-10-18)15-11-14(7-8-16-15)20-13-5-3-12(19-2)4-6-13/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethanol?
2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethanol has a molecular weight of 274.32 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethanol is sourced from PubChem (CID 131855914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).