1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol

C13H21NO3 — CID 60881141

IUPAC1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
SMILESCCOc1cccc(CNC)c1OCC(C)O
InChIInChI=1S/C13H21NO3/c1-4-16-12-7-5-6-11(8-14-3)13(12)17-9-10(2)15/h5-7,10,14-15H,4,8-9H2,1-3H3
InChIKeyXVZPVBHLHLRTOK-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.56
Rot. Bonds7

About 1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol

1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol (PubChem CID 60881141) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
PubChem CID60881141
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
SMILESCCOc1cccc(CNC)c1OCC(C)O
InChIInChI=1S/C13H21NO3/c1-4-16-12-7-5-6-11(8-14-3)13(12)17-9-10(2)15/h5-7,10,14-15H,4,8-9H2,1-3H3
InChIKeyXVZPVBHLHLRTOK-UHFFFAOYSA-N
XLogP1.56
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-methoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60887437
1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 63934160
1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol
CID 63057467
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228
1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine
CID 43213948
1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608730
3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114491680
1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine
CID 60881702
3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79629790
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
3-ethoxy-2-(2-hydroxypropoxy)benzoic acid
CID 60884976
[3-ethoxy-2-(2-methylbutoxy)phenyl]methanol
CID 62103842

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol (CID 60881141) is 1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol is CCOc1cccc(CNC)c1OCC(C)O.
What is the InChIKey of 1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol?
The InChIKey is XVZPVBHLHLRTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-16-12-7-5-6-11(8-14-3)13(12)17-9-10(2)15/h5-7,10,14-15H,4,8-9H2,1-3H3.
What are the key properties of 1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol?
1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol has a molecular weight of 239.31 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 60881141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).