1-(3-methoxyphenoxy)-3-(methylamino)propan-2-ol

C11H17NO3 — CID 3107873

IUPAC1-(3-methoxyphenoxy)-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cccc(OC)c1
InChIInChI=1S/C11H17NO3/c1-12-7-9(13)8-15-11-5-3-4-10(6-11)14-2/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeySGWDSXWFYFROPE-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.65
Rot. Bonds6

About 1-(3-methoxyphenoxy)-3-(methylamino)propan-2-ol

1-(3-methoxyphenoxy)-3-(methylamino)propan-2-ol (PubChem CID 3107873) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(3-methoxyphenoxy)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-methoxyphenoxy)-3-(methylamino)propan-2-ol
PubChem CID3107873
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(3-methoxyphenoxy)-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cccc(OC)c1
InChIInChI=1S/C11H17NO3/c1-12-7-9(13)8-15-11-5-3-4-10(6-11)14-2/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeySGWDSXWFYFROPE-UHFFFAOYSA-N
XLogP0.65
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenoxy)-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(3-methoxyphenoxy)-3-(methylamino)propan-2-ol (CID 3107873) is 1-(3-methoxyphenoxy)-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(3-methoxyphenoxy)-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(3-methoxyphenoxy)-3-(methylamino)propan-2-ol is CNCC(O)COc1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenoxy)-3-(methylamino)propan-2-ol?
The InChIKey is SGWDSXWFYFROPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-12-7-9(13)8-15-11-5-3-4-10(6-11)14-2/h3-6,9,12-13H,7-8H2,1-2H3.
What are the key properties of 1-(3-methoxyphenoxy)-3-(methylamino)propan-2-ol?
1-(3-methoxyphenoxy)-3-(methylamino)propan-2-ol has a molecular weight of 211.26 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenoxy)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 3107873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).